[ CAS No. 4637-24-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 4637-24-5 * Storage: {[proInfo.prStorage]}

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Login	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}	Login		Inquiry

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 4637-24-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 4637-24-5 ]

SDS Specification

Alternatived Products of [ 4637-24-5 ]

Product Details of [ 4637-24-5 ]

CAS No. :	4637-24-5	MDL No. :	MFCD00008482
Formula :	C₅H₁₃NO₂	Boiling Point :	-
Linear Structure Formula :	(CH₃O)₂CHN(CH₃)₂	InChI Key :	ZSXGLVDWWRXATF-UHFFFAOYSA-N
M.W :	119.16	Pubchem ID :	78373
Synonyms :		Chemical Name :	N,N-Dimethylformamide Dimethyl Acetal

Calculated chemistry of [ 4637-24-5 ] Expand+

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	31.22
TPSA :	21.7 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.63
Log Po/w (XLOGP3) :	0.23
Log Po/w (WLOGP) :	0.12
Log Po/w (MLOGP) :	0.16
Log Po/w (SILICOS-IT) :	-0.6
Consensus Log Po/w :	0.31

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.53
Solubility :	35.5 mg/ml ; 0.298 mol/l
Class :	Very soluble
Log S (Ali) :	-0.25
Solubility :	67.7 mg/ml ; 0.568 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.24
Solubility :	67.8 mg/ml ; 0.569 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.41

Safety of [ 4637-24-5 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P261-P280-P305+P351+P338	UN#:	3271
Hazard Statements:	H225-H302+H312+H332-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 4637-24-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 4637-24-5 ]
Downstream synthetic route of [ 4637-24-5 ]

[ 4637-24-5 ] Synthesis Path-Upstream 1~4

1
[ 102871-92-1 ]
[ 4637-24-5 ]
[ 37865-86-4 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 13, p. 3942 - 3946

2
[ 4637-24-5 ]
[ 118664-99-6 ]
[ 63762-72-1 ]
[ 122509-72-2 ]

Reference： [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 7, p. 1853 - 1863

3
[ 60956-25-4 ]
[ 4637-24-5 ]
[ 610794-15-5 ]

Yield	Reaction Conditions	Operation in experiment
5.5%	Stage #1: With pyrrolidine In 1,4-dioxane at 100℃; for 18 h; Inert atmosphere Stage #2: at 110℃; for 4 h;	ep 2: A mixture of 298 (3.0 g, 13.04 mmol), pyrrolidine (926 mg, 13.04 mmol), and DMF-DMA (7.76 g, 65.22 mmol) in 1,4-dioxane (20 mL) under nitrogen atmosphere was heated at 100 °C for 18 h. The reaction was concentrated under to dryness in vacuo and to the residue was added iron (3.65 g, 65.22 mmol) and HO Ac (40 mL). The resulting mixture was heated at 110 °C for 4 h, cooled to RT and filtered. The filtrate was concentrated in vacuo. The crude was purified by S1O₂ chromatography eluting with petroleum ether/EtOAc (10:1) to afford 150 mg (5.5percent) of 4-bromo-5-methyl-lH-indole (300) as a yellow solid: MS (ESI) m/z = 210.1 (M+l).

Reference： [1] Patent: WO2013/26914, 2013, A1, . Location in patent: Page/Page column 170

4
[ 4637-24-5 ]
[ 502496-33-5 ]
[ 885520-70-7 ]

Yield	Reaction Conditions	Operation in experiment
39%	Stage #1: at 20℃; Heating / reflux Stage #2: With iron; acetic acid In N,N-dimethyl-formamide for 0.666667 h; Heating / reflux Stage #3: With water; sodium carbonate In dichloromethane	Intermediate 35; 4-Bromo-6-fluoro-lH-indole; l-Bromo-5-fluoro-2-methyl-3-nitrobenzene (2.00 g, 8.55 mmol) and(dimethoxymethyl)dimethylamine (5.66 mL, 42.7 mmol) in dry DMF (20 mL) was refiuxed under N₂ for 8 h, then rt. over night. The mixture was diluted with DCM and extracted 5 times with water. The organic layer was dried, filtered and concentrated under reduced pressure. The residue was dissolved in AcOH (10 mL) and added drop wise to a boiling mixture of Fe(s, fine powder) in AcOH (10 mL). The mixture was refiuxed for 40 min., partitioned between DCM and saturated aq. Na₂CO₃/brine (the mixture was filtered through celite before phase separation). The water layer was extracted once more with DCM. The organic layers were combined, dried and concentrated. Purification was performed by flash column chromatography (DCM/hexane 1:3) and afforded the title compound (660 mg, 39percent) as a yellow oil. MS (ESI+) for C₈H₅BrFN m/z 214 (M+H)⁺.
27%	Stage #1: With pyrrolidine In 1,4-dioxane at 20 - 100℃; for 18 h; Stage #2: With iron; acetic acid In 1,4-dioxane for 1 h; Reflux	Example 41 N4-(5-Cyclobutyl- 1 H-pyrazol-3-yl)-N2-((6-fluoro- 1 H-indol-4-yl)methyl)pyrimidine-2,4-diamine Formate (1-88) step 1 : To a solution of l-bromo-5-fluoro-2-methyl-3-nitrobenzene (4.69 g, 20 mmol) in 1,4-dioxane (25 mL) at RT was slowly added DMF dimethylacetal (13.3 mL) and pyrrolidine (1.7 mL). The solution was heated at 100 °C for 18 h, then concentrated in vacuo to give a dark residue. To the residue was added HOAc (30 mL) and iron powder (11 g, 200 mmol) then the mixture was heated to reflux for 1 h, cooled to RT, neutralized by addition of 50percent aq. NaOH and extracted with EtOAc (2 x 200 mL). The combined organic extracts were dried (MgSO i), filtered and concentrated in vacuo. The residue was purified by Si02 chromatography eluting with an EtO Ac/petroleum ether gradient (5 to 30percent EtOAc) to afford 1.16 g (27percent) of 4-bromo-6-fluoro-lH-indole (224) -as brown solid: MS (ESI) m/z = 213.9 [M+l] +.

Reference： [1] Patent: WO2008/3703, 2008, A1, . Location in patent: Page/Page column 91
[2] Patent: WO2013/26914, 2013, A1, . Location in patent: Page/Page column 158

[ 4637-24-5 ] Synthesis Path-Downstream 1~21

1
[ 5471-82-9 ]
[ 4637-24-5 ]
[ 93247-78-0 ]

Reference： [1]Chemical and pharmaceutical bulletin,1986,vol. 34,p. 4116 - 4125

2
[ 4506-66-5 ]
[ 4637-24-5 ]
1,2,4,5-Tetrakis<(dimethylaminomethylene)amino>benzene dihydrochloride [ No CAS ]

Reference： [1]Liebigs Annales,1995,p. 1823 - 1826

3
[ 4637-24-5 ]
[ 4016-63-1 ]
2N-((dimethylamino)methylene)-8-bromoguanosine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2003,vol. 125,p. 2390 - 2391

4
[ 4637-24-5 ]
[ 502496-33-5 ]
[ 885520-70-7 ]

Yield	Reaction Conditions	Operation in experiment
39%		Intermediate 35; 4-Bromo-6-fluoro-lH-indole; l-Bromo-5-fluoro-2-methyl-3-nitrobenzene (2.00 g, 8.55 mmol) and(dimethoxymethyl)dimethylamine (5.66 mL, 42.7 mmol) in dry DMF (20 mL) was refiuxed under N2 for 8 h, then rt. over night. The mixture was diluted with DCM and extracted 5 times with water. The organic layer was dried, filtered and concentrated under reduced pressure. The residue was dissolved in AcOH (10 mL) and added drop wise to a boiling mixture of Fe(s, fine powder) in AcOH (10 mL). The mixture was refiuxed for 40 min., partitioned between DCM and saturated aq. Na2CO3/brine (the mixture was filtered through celite before phase separation). The water layer was extracted once more with DCM. The organic layers were combined, dried and concentrated. Purification was performed by flash column chromatography (DCM/hexane 1:3) and afforded the title compound (660 mg, 39percent) as a yellow oil. MS (ESI+) for C8H5BrFN m/z 214 (M+H)+.
27%		Example 41 N4-(5-Cyclobutyl- 1 H-pyrazol-3-yl)-N2-((6-fluoro- 1 H-indol-4-yl)methyl)pyrimidine-2,4-diamine Formate (1-88) step 1 : To a solution of l-bromo-5-fluoro-2-methyl-3-nitrobenzene (4.69 g, 20 mmol) in 1,4-dioxane (25 mL) at RT was slowly added DMF dimethylacetal (13.3 mL) and pyrrolidine (1.7 mL). The solution was heated at 100 °C for 18 h, then concentrated in vacuo to give a dark residue. To the residue was added HOAc (30 mL) and iron powder (11 g, 200 mmol) then the mixture was heated to reflux for 1 h, cooled to RT, neutralized by addition of 50percent aq. NaOH and extracted with EtOAc (2 x 200 mL). The combined organic extracts were dried (MgSO i), filtered and concentrated in vacuo. The residue was purified by Si02 chromatography eluting with an EtO Ac/petroleum ether gradient (5 to 30percent EtOAc) to afford 1.16 g (27percent) of 4-bromo-6-fluoro-lH-indole (224) -as brown solid: MS (ESI) m/z = 213.9 [M+l] +.

Reference： [1]Patent: WO2008/3703,2008,A1 .Location in patent: Page/Page column 91
[2]Patent: WO2013/26914,2013,A1 .Location in patent: Page/Page column 158

5
[ 2040-05-3 ]
[ 4637-24-5 ]
1-(2,6-Dichlorophenyl)-3-dimethylaminopropenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With pyridinium p-toluenesulfonate; for 1.5h;Heating / reflux;	To a solution of 2,6-dichloroacetophenone (2 g) in dry dimethylformamide dimethyl acetal (10 ml) was added pyridinium 4-toluene sulfonate (0.2 g). The mixture was stirred under nitrogen and heated to reflux for 90 minutes. An azeotrope of dimethylformamide dimethylacetal/methanol was distilled under nitrogen to complete loss of 2,6-dichloroacetophenone by thin layer chromatography. The cold mixture was evaporated to give a solid. The solid was triturated with 10percent diethyl ether in light petroleum (b.p. 40-60°C). filtered and washed with the same to give the title compound. m.p. 98-100°C.

Reference： [1]Patent: EP1204323,2004,B1 .Location in patent: Page 25

6
[ 4637-24-5 ]
[ 17583-10-7 ]
[ 827598-61-8 ]

Yield	Reaction Conditions	Operation in experiment
59%	In ethanol; at 150℃; for 0.5h;Irradiation;	N'-(6-Dimethylaminomethylene-7-oxo-4,5, 6, 7-tetrahydro-benzothiazol-2-yl)-N, N-dimethyl- formamidine A mixture of 2-amino-5, 6-dihydro-4H-benzothiazol-7-one (0.5 g, 3 mmol) and N, N- dimethylformamide dimethyl acetal (1.96 mL, 1. 76 g, 14.8 mmol) in ETOH (2mL) was heated under microwave irradiation (300 W, 150 °C) for 30 min. The mixture was concentrated under vacuum before purification by flash column chromatography (50 percent EtOAc: hexane) to afford the title product as a tan solid (0.49 g, 59 percent)

Reference： [1]Patent: WO2005/5438,2005,A1 .Location in patent: Page/Page column 46

7
[ 1721-26-2 ]
[ 36016-40-7 ]
[ 4637-24-5 ]
[ 573763-62-9 ]

Yield	Reaction Conditions	Operation in experiment
	In n-heptane; dichloromethane; water; N,N-dimethyl-formamide;	A. Pyrazolo[1,5-a]pyridine-4-carboxylic acid ethyl ester (777A) To a clear solution of 2-methyl-nicotinic acid ethyl ester (50.6 g, 306 mmol) in anhydrous methylene chloride (200 mL) was added O-mesitylenesulfonylhydroxylamine (73 g, 337 mmol; prepared according to a literature procedure described in Krause; J. G., Synthesis 1972, 140); in portions at 0° C. The solution obtained was stirred at 0° C. for 15 min, and then at rt for 1 h. Concentration under reduced pressure gave a yellow solid. After the solid was dissolved in anhydrous DMF (300 mL), N,N-dimethylformamide dimethyl acetal (122 mL, 918 mmol) was added at 0° C. The mixture was stirred at 0° C. for 15 min, and then at 90° C. for 3 h. The reaction mixture was concentrated under reduced pressure, mixed with H2O (200 mL), and extracted with Et2O (3180 mL). The combined organic solutions were washed sequentially with brine (50 mL), 1N aqueous HCl (50 mL), and brine (50 mL), and dried over Na2SO4. Filtration through a SiO2 column, which was then eluted with 30percent EtOAc in heptane, gave compound 777A (43.3 g, 74percent) as a yellow solid. HPLC: 80percent at 3.20 min (retention time) plus 20percent corresponding methyl ester at 2.83 min (retention time) (YMC S5 ODS-A column 4.650 mm eluding with 10-90percent aqueous methanol over 4 mincontaining 0.2percent phosphoric acid, 4 mL/min, monitoring at 220 nm). MS (ES): m/z 191 [M+H]+.

Reference： [1]Patent: US2004/77605,2004,A1

8
[ 55289-35-5 ]
[ 4637-24-5 ]
[ 20357-21-5 ]

Yield	Reaction Conditions	Operation in experiment
67%		Example 35; This example describes the synthesis of Aldehyde 10: To a stirred solution of 9 (4.94 g, 22.3 mmol) and DMF (22.3 mL) was added DMF'DMA (8.18 g, 9.59 mL, 68.6 mmol). After heating at 135°C for 16 h, the dark red solution was cooled to 0°C and added to a rapidly stirred solution OfNaIO4 (14.7 g, 68.6 mmol) in H2O (46 mL) and DMF (23 mL) at 0°C. The reaction flask was washed with DMF (23 mL) at 0°C and added to NaIO4 mixture. The reaction was stirred at O0C for 4 h then allowed to warm to rt. After an additional 18 h, the orange solution was filtered over a pad of celite-.(R). and rinsed with EtOAc (200 mL) to remove precipitate. The filtrate was then washed with H2O (3 x 150 mL) and sat. aq. NaCl (3 x 150 mL). The dried extract (MgSO4) was concentrated in vacuo and purified by chromatography over silica gel, eluting with 40percent EtOAc / Hexanes to give the known aldehyde 10 (3.44 g, 14.8 mmol, 67percent). 1H NMR (400 MHz, CDCl3) delta 10.3 (s, IH), 8.04 (dd, J= 1.0, 8.2 Hz, IH), 7.95 (dd, J= 1.0, 8.0 Hz, IH), 7.55 (t, J= 8.0 Hz, IH); 13C NMR (100 MHz, CDCl3) delta 188.6, 148.4, 138.6, 132.9, 132.4, 123.4, 121.9.

Reference： [1]Patent: WO2008/156656,2008,A2 .Location in patent: Page/Page column 58; 66; 120

9
[ 628-36-4 ]
[ 4637-24-5 ]
[ 16114-05-9 ]

Reference： [1]Synthesis,2008,p. 3380 - 3382

10
[ 2243-82-5 ]
[ 4637-24-5 ]
[ 1231929-41-1 ]

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,2009,vol. 64,p. 1438 - 1448

11
[ 1006-33-3 ]
[ 4637-24-5 ]
[ 1246078-71-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	at 80℃; for 3h;	1.3. Preparation ofl-(2-Bromo-5-fluorophenyl)-3-(dimethylamino)prop-2-en-l-one[0229] A solution of l-(2-bromo-5-fluorophenyl)ethanone (15.7 g, 72.2 mmol) in dimethylformamide dimethyl acetal (24.0 mL, 181 mmol) was heated to 8O0C for 3 h. The reaction mixture was allowed to cool to room temperature and was then cooled to about O0C. Water (100 mL) was slowly added to the reaction mixture while the internal temperature was maintained below about 2O0C. The resulting biphasic mixture was further diluted with MTBE and water. The aqueous phase was extracted with MTBE, and the combined organic phases were washed with water and brine, dried over Na2SO4, and concentrated in vacuo to give l-(2-bromo-5-fluorophenyl)-3-(dimethylamino)prop-2-en- 1-one as a dark orange solid (19.6 g, 100%). This material was used without further purification in the next reaction step. 1H-NMR (500 MHz, CDCl3) delta 7.51 (d, J = 8.8, 4.9 Hz, IH), 7.02-7.12 (m, 2H), 6.93 (dt, J = 8.2, 3.0 Hz, IH), 5.28 (d, J = 12.5 Hz, IH), 3.12 (br s, 3H), 2.89 (s, 3H). Alternatively, a standard aqueous workup was employed to isolate the title compound as a brown oil, which crystallized upon standing (250 g, 96% yield, 97% purity by HPLC).

Reference： [1]Patent: WO2010/111418,2010,A2 .Location in patent: Page/Page column 99-100

12
[ 4637-24-5 ]
[ 17583-10-7 ]
[ 1260504-54-8 ]

Yield	Reaction Conditions	Operation in experiment
	at 100℃; for 65h;	Stage A.2: N'-{6-[1-Dimethylamino-meth-(E)-ylidene]-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl}-N,N-dimethyl-formamidineA suspension of <strong>[17583-10-7]2-amino-5,6-dihydro-4H-benzothiazol-7-one</strong> (3.5 g, 20.81 mmol) in dimethoxymethyldimethylamine (12 mL, 90 mmol) was heated at 100° C. with stirring for 65 h. The RM was then evaporated to dryness in vacuo and the residue was suspended in EtOAc. After 1 h at 4° C., the solid was filtered off, washed with EtOAc and then dried under high vacuum at 60° C. to give the pure title product as brown crystals. LC: tR 3.25 min (method D). MS: M+H=279. 1H-NMR in DMSO-d6: 8.40 (s, 1H); 7.23 (s, 1H); 3.15 (s, 3H); 3.05 (s, 6H); 2.97 (s, 3H); 2.91 (t, 2H); 2.67 (t, 2H).

Reference： [1]Patent: US2011/3786,2011,A1 .Location in patent: Page/Page column 15

13
[ 1836-05-1 ]
[ 4637-24-5 ]
[ 115237-38-2 ]

Reference： [1]Helvetica Chimica Acta,2012,vol. 95,p. 989 - 997

14
[ 7579-20-6 ]
[ 4637-24-5 ]
[ 100-46-9 ]
[ 1442451-57-1 ]

Reference： [1]Organic Letters,2015,vol. 17,p. 1700 - 1703

15
[ 88847-89-6 ]
[ 4637-24-5 ]
7,8-dihydro-N<SUP>2</SUP>-(N,N-dimethylaminomethylidene)-8-oxo-2'-deoxyguanosine [ No CAS ]

Reference： [1]Chemical Science,2016,vol. 7,p. 995 - 1010

16
[ 1006-33-3 ]
[ 4637-24-5 ]
(E)-1-(2-bromo-5-fluorophenyl)-3-dimethylaminopropenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	at 110℃; for 5h;Inert atmosphere;	General procedure: Dimethylformamide dimethylacetal (7 vol) was added under nitrogen atmosphere to corresponding substituted acetophenones (1a-c) (1g) at ambient temperature. The reaction medium was heated to 110 °C and stirred for 6?8 h. Completion of the reaction was monitored by TLC. After completion of the reaction, volatiles were removed under reduced pressure. The residue obtained was dissolved in ethyl acetate(2 vol) and hexane (8 vol) was added drop wise to it at room temperature. The resultant reaction mixture was stirred for 1h at the same temperature. The solid formed was filtered,washed with hexane and dried under vacuum. (E)-1-(2-Bromo-5-fluoro-phenyl)-3-dimethylaminopropenone(2a) This compound was prepared from 2-bromo-5-fluoro acetophenone(1a) (5g, 23.04 mmol) with dimethylformamidedimethyl acetal (35 mL). It was obtained as pale yellow solid (5.9 g, 95percent). MP: 107.8?108.6 °C. IR (ATR, cm?1) upsilon:585.78 (C-Br), 1022.41 (C-F), 1068.13 (C-O), 1164.81 (CN N), 1424.39 (C-C), 1456.96 (C-C), 1485.03 (C-C), 1547.82(C-C), 1639.92 (C=O), 3055.26 (C-H). 1H NMR (DMSOd6,300 MHz) delta (ppm): 2.84 (3H, s, ?N?CH3), 3.31 (3H, s,?N?CH3), 5.16 (1H, d, J = 12.6 Hz, =C?H?CO), 7.15?7.17(2H, m, Ar?H), 7.21 (1H, d, J = 13.0 Hz, =CH?N?(CH3)2), 7.64 (1H, dt, J1 = 13.8 Hz, J2 = 5.1 Hz, Ar?H). 13C NMR(DMSO-d6, 100MHz) delta (ppm): 37.48 (?N?CH3), 45.01(?N?CH3), 95.1 (?ene?CH), 113.79 & 113.86 (d, 3J C?F =7.8 Hz , ArC?Br), 115.84 & 116.07 (d, 2J C-F = 23.2 Hz,Ar-C), 117.43 & 117.66 (d, 2J C?F = 22.4 Hz, Ar?C),134.99 & 135.07 (d, 3J C-F = 8 Hz, Ar?C), 146.6 (Ar?C),154.8 (?ene?CH), 160.35 & 162.80 (d, 1J C-F = 244.8 Hz,ArC?F), 187.8 (?C=O). LC-MS (ESI, m/z): 274.42[M+2 H]

Reference： [1]Medicinal Chemistry Research,2017,vol. 26,p. 714 - 744

17
[ 2243-82-5 ]
[ 4637-24-5 ]
[ 14205-39-1 ]
methyl 4-methyl-2-(naphthalen-2-yl)pyrimidine-5-carboxylate [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2017,vol. 359,p. 2509 - 2513

18
[ 22929-52-8 ]
[ 4637-24-5 ]
4-((dimethylamino)methylene)dihydrofuran-3(2H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane; at 110℃; for 2h;	Step 1 - 4-((Dimethylamino)methylene)<strong>[22929-52-8]dihydrofuran-3(2H)-one</strong> (0554) [00355] To a solution of 1,1-dimethoxy-N,N-dimethylmethanamine (48.4 g, 407 mmol) in dioxane (150 mL) was added <strong>[22929-52-8]tetrahydrofuran-3-one</strong> (7.00 g, 81.3 mmol). The reaction mixture was stirred at 110 °C for 2 hrs. On completion, the mixture was concentrated in vacuo. The residue was triturated with petroleum ether to give the title compound. 1H NMR (400 MHz, DMSO-d6) delta = 7.15 (s, 1H), 5.00 (s, 2H), 3.86 (s, 2H), 3.01 (s, 6H).

Reference： [1]Patent: WO2017/156181,2017,A1 .Location in patent: Paragraph 00355

19
[ 39903-01-0 ]
[ 4637-24-5 ]
C₈H₁₀BrN₃O [ No CAS ]

Reference： [1]Journal of Chemical Sciences,2018,vol. 130

20
[ 1151802-22-0 ]
[ 96-72-0 ]
[ 4637-24-5 ]
5-amino-2-(1-cyclopropyl-1H-pyrazol-4-yl)-N-[(dimethylamino)methylidene]benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		2-Chloro-5-nitrobenzenesulfonamide (674 mg, 2.85 mmol) and 1 -cyclopropyl-4-(4, 4,5,5- tetramethyl-1 ,3,2-dioxaborolan-2-yl)-1 /-/-pyrazole (1 .00 g, 4.27 mmol) were dissolved in n- propanol (34 ml) and bis(triphenylphosphine)palladium(ll) dichloride (CAS 13965-03-2) (100 mg, 142 muetaetaomicronIota) and triphenylphosphine (37.3 mg, 142 muetaetaomicronIota) were added. The reaction was purged with argon for 5 minutes and aq. potassium carbonate (5.7 ml, 1.0 M, 5.7 mmol) was added. The reaction was heated at 100°C for 3h. Afterwards the mixture was filtered over Celite and the solvent was removed under reduced pressure. Ethyl acetate and water were added. The phases were separated and the aqueous phase was extracted with ethyl acetate. The combined organic phases were dried over Whatmanfilter and the solvent was removed under reduced pressure. The crude was used in the next step without further purification. (0458) 2-(1 -Cyclopropyl-1 /-/-pyrazol-4-yl)-5-nitrobenzenesulfonamide (1.17 g, 3.79 mmol) and 1 ,1 -dimethoxy-/V,/V-dimethylmethanamine (1 .0 ml, 7.6 mmol) were dissolved in DMF (25 ml) and the reaction was stirred at room temperature until completion of the reaction. The solvent was removed under reduced pressure and the crude was used without further purification in the next step. (0459) 2-(1 -Cyclopropyl-1 /-/-pyrazol-4-yl)-/V-[(dimethylamino)methylidene]-5- nitrobenzenesulfonamide (1.84 g, 5.06 mmol) was dissolved in THF (30 ml) and the flask was flushed with nitrogen. Palladium on charcoal (10percent loading, 53.9 g, 506 muetaetaomicronIota) was added and the flask was evacuated and subsequently flushed with hydrogen (1 bar). Stirring was continued at room temperature until completion of the reaction. The reaction mixture was filtered over Celite and the solvent was removed under reduced pressure. The crude was used without further purification in the next step (1.3 g, 53percent purity, 75percent yield over 3 steps). (0460) LC-MS (Method A): Rt = 0.70 min; MS (ESIpos): m/z = 334 [M+H]+

Reference： [1]Patent: WO2019/81573,2019,A1 .Location in patent: Page/Page column 56-57

21
[ 25475-67-6 ]
[ 4637-24-5 ]
N'-hydroxy-N-(isoquinolin-3-yl)formimidamide [ No CAS ]

Reference： [1]Organic Process Research and Development,2019,vol. 23,p. 2510 - 2515

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Heat of Combustion ? Hydride Reductions ? Leuckart-Wallach Reaction ? Mannich Reaction ? Nomenclature of Ethers ? Petasis Reaction ? Preparation of Amines ? Preparation of Ethers ? Reactions of Amines ? Reactions of Ethers ? Specialized Acylation Reagents-Vilsmeier Reagent ? Ugi Reaction

Historical Records

Similar Product of
[ 4637-24-5 ]

A1638647[ 61853-18-7 ]

1,1-Dimethoxy-N,N-dimethylmethanamine-13C

Reason: Stable Isotope

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

[ CAS No. 4637-24-5 ] {[proInfo.proName]}

Quality Control of [ 4637-24-5 ]

Related Doc. of [ 4637-24-5 ]

Product Details of [ 4637-24-5 ]

Calculated chemistry of [ 4637-24-5 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 4637-24-5 ]

Application In Synthesis of [ 4637-24-5 ]

[ 4637-24-5 ] Synthesis Path-Upstream 1~4

[ 4637-24-5 ] Synthesis Path-Downstream 1~21

Technical Information

Similar Product of [ 4637-24-5 ]

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Similar Product of
[ 4637-24-5 ]