[ CAS No. 3886-70-2 ] {[proInfo.proName]}

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Quality Control of [ 3886-70-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 3886-70-2 ]

SDS Specification

Alternatived Products of [ 3886-70-2 ]

Product Details of [ 3886-70-2 ]

CAS No. :	3886-70-2	MDL No. :	MFCD00064114
Formula :	C₁₂H₁₃N	Boiling Point :	-
Linear Structure Formula :	H₂NCH(CH₃)C₁₀H₇	InChI Key :	RTCUCQWIICFPOD-SECBINFHSA-N
M.W :	171.24	Pubchem ID :	2724264
Synonyms :		Chemical Name :	(R)-1-(Naphthalen-1-yl)ethanamine

Calculated chemistry of [ 3886-70-2 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.43
TPSA :	26.02 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.06
Log Po/w (XLOGP3) :	2.76
Log Po/w (WLOGP) :	2.54
Log Po/w (MLOGP) :	2.85
Log Po/w (SILICOS-IT) :	2.77
Consensus Log Po/w :	2.59

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.14
Solubility :	0.123 mg/ml ; 0.000718 mol/l
Class :	Soluble
Log S (Ali) :	-2.96
Solubility :	0.187 mg/ml ; 0.00109 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.14
Solubility :	0.0123 mg/ml ; 0.0000718 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.12

Safety of [ 3886-70-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 3886-70-2 ]

* 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 [ 3886-70-2 ]
Downstream synthetic route of [ 3886-70-2 ]

[ 3886-70-2 ] Synthesis Path-Upstream 1~1

1
[ 3886-70-2 ]
[ 15297-33-3 ]

Reference： [1] Journal of Organic Chemistry, 1998, vol. 63, # 6, p. 2022 - 2030
[2] European Journal of Medicinal Chemistry, 2013, vol. 68, p. 482 - 496
[3] Organic and Biomolecular Chemistry, 2015, vol. 13, # 21, p. 6082 - 6102
[4] European Journal of Organic Chemistry, 2018, vol. 2018, # 17, p. 1975 - 1983

[ 3886-70-2 ] Synthesis Path-Downstream 1~9

1
[ 546-68-9 ]
ethereal HCl [ No CAS ]
EtOH (abs.) [ No CAS ]
Sodium cyanoborohydride (NaCNBH₃) [ No CAS ]
[ 4903-09-7 ]
[ 3886-70-2 ]
N-(3-chloro-4-methoxybenzyl)-(R)-1-(1-naphthyl) ethylamine hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	In diethyl ether; hexane; water;	(R)-N-(3-Chloro-4-methoxybenzyl)-1-(1-naphthyl)ethylamine hydrochloride A mixture of (R)-(+)-1-(1-naphthyl)ethylamine (6.6 g, 39 mmol), <strong>[4903-09-7]3'-chloro-4'-methoxybenzaldehyde</strong> (6.6 g, 39 mmol), titanium (IV) isopropoxide (13.8 g, 48.8 mmol), and EtOH (abs.) (30 mL) was heated to 80° C. for 30 minutes and then stirred at room temperature for 3 hours. Sodium cyanoborohydride (NaCNBH3) (2.45 g, 39 mmol) was then added and the reaction mixture was stirred at room temperature for an additional 18 hours. Diethyl ether (100 mL) and H2O (2 mL) were then added to the reaction mixture and the resulting precipitate was removed by centrifugation. The supernatant was evaporated under vacuum and the crude product was chromatographed on silica gel (50 mm*30 cm column) (elution with CH2C2). The chromatographed material was then dissolved in hexane (500 mL), decolorized with NoritO, filtered (0.2 muM), and then ethereal HCl was added to precipitate the product as a while solid (10.2 g, 56percent yield), m.p. 241-242° C. (dec.).
56%	In hexane; water;	N-(3-chloro-4-methoxybenzyl)-(R)-1-(1-naphthyl) ethylamine hydrochloride A mixture of (R)-(+)-1-(1-naphthyl)ethylamine (6.6 g, 39 mmol), <strong>[4903-09-7]3'-chloro-4'-methoxybenzaldehyde</strong> (6.6 g, 39 mmol), and titanium (IV) isopropoxide (13.8 g, 48.8 mmol), and EtOH (abs.) (30 mL) was heated to 80° C. for 30 minutes then allowed to stir at room temperature for 3 hours. Sodium cyanoborohydride (NaCNBH3) (2.45 g, 39 mmol) was then added. The reaction mixture was stirred at room temperature for 18 hours. Ether (100 mL) and H2O (2 mL) were added to the reaction mixture and the resulting precipitate was then removed by centrifugation. The supernatant was evaporated under vacuum and the crude product was chromatographed on silica gel (50 mm*30 cm column) (elution with CH2Cl2). The chromatographed material was then dissolved in hexane (500 mL), decolorized with Norit.(R). filtered (0.2 muM), and then ethereal HCl was added to precipitate the product as a while solid (10.2 g, 56percent yield), m.p.: 241-242° C. (dec.).

Reference： [1]Patent: US6313146,2001,B1
[2]Patent: US6211244,2001,B1

2
[ 546-68-9 ]
ethereal HCl [ No CAS ]
EtOH (abs.) [ No CAS ]
Sodium cyanoborohydride (NaCNBH₃) [ No CAS ]
[ 4903-09-7 ]
[ 3886-70-2 ]
[ 7732-18-5 ]
N-(3-chloro-4-methoxybenzyl)-(R)-1-(1-naphthyl) ethylamine hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	In diethyl ether; hexane;	(R)-N-(3-Chloro-4-methoxybenzyl)-1-(1-naphthyl)ethylamine hydrochloride A mixture of (R)-(+)-1-(1-naphthyl)ethylamine (6.6 g, 39 mmol), <strong>[4903-09-7]3'-chloro-4'-methoxybenzaldehyde</strong> (6.6 g, 39 mmol), titanium (IV) isopropoxide (13.8 g, 48.8 mmol), and EtOH (abs.) (30 mL) was heated to 80° C. for 30 minutes and then stirred at room temperature for 3 hours. Sodium cyanoborohydride (NaCNBH3) (2.45 g, 39 mmol) was then added and the reaction mixture was stirred at room temperature for an additional 18 hours. Diethyl ether (100 mL) and H2 O (2 mL) were then added to the reaction mixture and the resulting precipitate was removed by centrifugation. The supernatant was evaporated under vacuum and the crude product was chromatographed on silica gel (50 mm*30 cm column) (elution with CH2 Cl2). The chromatographed material was then dissolved in hexane (500 mL), decolorized with Norit.(R)., filtered (0.2 muM), and then ethereal HCl was added to precipitate the product as a while solid (10.2 g, 56percent yield), m.p. 241-242° C. (dec.).
56%	In diethyl ether; hexane;	(R)-N-(3-Chloro-4-methoxybenzyl)-1-(1-naphthyl)ethylamine hydrochloride A mixture of (R)-(+)-1-(1-naphthyl)ethylamine (6.6 g, 39 mmol), <strong>[4903-09-7]3'-chloro-4'-methoxybenzaldehyde</strong> (6.6 g, 39 mmol), titanium (IV) isopropoxide (13.8 g, 48.8 mmol), and EtOH (abs.) (30 mL) was heated to 80° C. for 30 minutes and then stirred at room temperature for 3 hours. Sodium cyanoborohydride (NaCNBH3) (2.45 g, 39 mmol) was then added and the reaction mixture was stirred at room temperature for an additional 18 hours. Diethyl ether (100 mL) and H2 O (2 mL) were then added to the reaction mixture and the resulting precipitate was removed by centrifugation. The supernatant was evaporated under vacuum and the crude product was chromatographed on silica gel (50 mm*30 cm column) (elution with CH2 Cl2). The chromatographed material was then dissolved in hexane (500 mL), decolorized with Norit.(R)., filtered (0.2 muM), and then ethereal HCl was added to precipitate the product as a while solid (10.2 g, 56percent yield), m.p. 241°-242° C. (dec.).
56%	In diethyl ether; hexane;	(R)-N-(3-Chloro-4-methoxybenzyl)-1-(1-naphthyl)ethylamine hydrochloride A mixture of (R)-(+)-1-(1-naphthyl)ethylamine (6.6 g, 39 mmol), <strong>[4903-09-7]3'-chloro-4'-methoxybenzaldehyde</strong> (6.6 g, 39 mmol), titanium (IV) isopropoxide (13.8 g, 48.8 mmol), and EtOH (abs.) (30 mL) was heated to 80° C. for 30 minutes and then stirred at room temperature for 3 hours. Sodium cyanoborohydride (NaCNBH3) (2.45 g, 39 mmol) was then added and the reaction mixture was stirred at room temperature for an additional 18 hours. Diethyl ether (100 mL) and H2 O (2 mL) were then added to the reaction mixture and the resulting precipitate was removed by centrifugation. The supernatant was evaporated under vacuum and the crude product was chromatographed on silica gel (50 mm*30 cm column) (elution with CH2 Cl2). The chromatographed material was then dissolved in hexane (500 mL), decolorized with Norit.(R)., filtered (0.2 muM), and then ethereal HCl was added to precipitate the product as a while solid (10.2 g, 56percent yield), m.p. 241-242° C. (dec.).

Reference： [1]Patent: US6031003,2000,A
[2]Patent: US5763569,1998,A
[3]Patent: US6011068,2000,A

3
[ 546-68-9 ]
ethereal HCl [ No CAS ]
EtOH (abs.) [ No CAS ]
Sodium cyanoborohydride (NaCNBH₃) [ No CAS ]
[ 4903-09-7 ]
[ 3886-70-2 ]
[ 7732-18-5 ]
N-(3-chloro-4-methoxybenzyl)-(R)-1-(1-naphthyl)ethylamine hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	In hexane;	N-(3-chloro-4-methoxybenzyl)-(R)-1-(1-naphthyl)ethylamine hydrochloride A mixture of (R)-(+)-1-(1-naphthyl)ethylamine (6.6 g, 39 mmol), <strong>[4903-09-7]3'-chloro-4'-methoxybenzaldehyde</strong> (6.6 g, 39 mmol), and titanium (IV) isopropoxide (13.8 g, 48.8 mmol), and EtOH (abs.) (30 mL) was heated to 80° C. for 30 minutes then allowed to stir at room temperature for 3 hours. Sodium cyanoborohydride (NaCNBH3) (2.45 g, 39 mmol) was then added. The reaction mixture was stirred at room temperature for 18 hours. Ether (100 mL) and H2 O (2 mL) were added to the reaction mixture and the resulting precipitate was then removed by centrifugation. The supernatant was evaporated under vacuum and the crude product was chromatographed on silica gel (50 mm*30 cm column) (elution with CH2 Cl2). The chromatographed material was then dissolved in hexane (500 mL), decolorized with Norit.(R). filtered (0.2 muM), and then ethereal HCl was added to precipitate the product as a while solid (10.2 g, 56percent yield), m.p.: 241-242° C. (dec.).

Reference： [1]Patent: US6001884,1999,A

4
[ 930-68-7 ]
[ 850568-67-1 ]
[ 3886-70-2 ]
[ 1157580-33-0 ]

Yield	Reaction Conditions	Operation in experiment
		General procedure M.To a solution of cycloalkenone (400 mumol) in 400 muL DME were added boronic acid (480 mumol, 1.2 eq.), (COD)Rh(l,4-dihydroquinone)BF4 (1 mol%) in 100 muL DME, and LiOH (4 mol%) in 600 muL water. After shaking the mixture overnight at 50 0C, the solvent was removed in vacuo. The crude intermediate ketone was dissolved in DCE containing acetic acid (1.2 eq.). (+)-(/R)-l-naphthalen-l-yl-ethyIamine (1 eq.) in DCE was added <n="136"/>followed by NaBH(OAc)3 (1.2 eq.) The mixture was shaken overnight at r. t., filtered and the solvents were removed in vacuo. The residue was redissolved in 750 mul_ DMSO and purified by HPLC.Example 214: 2-Methyl-2-{4-[3-((beta)-l-naphthalen-l-yl-ethylamino)-cyclohexyl]- phenyl>-propionitrile (compound 1236/1237)General procedure M was followed using 4-(2-cyanopropan-2-yl) phenylboronic acid and 2-cyclohexen-l-one. The title compounds were purified by chromatography on 20 g silica gel in a gradient from 0 to 60% EtOAc in n-heptane, flow rate 30 mL/min. Compound 1236 (1 isomer, less polar, RT ~ 11 min): 13C NMR (75 MHz, DMSO) delta 146.84, 142.38, 138.59, 133.47, 130.84, 128.60, 127.05, 126.42, 125.62, 125.54, 125.15, 124.80, 124.69, 123.04, 122.94, 50.88, 49.99, 38.75, 36.56, 36.17, 33.17, 28.94, 28.26, 24.52, 20.25. Compound 1237 (1 isomer, more polar, RT ~ 13 min): 13C NMR (75 MHz, DMSO) delta 146.76, 142.14, 138.61, 133.39, 130.84, 128.55, 127.18, 126.39, 125.62, 125.50, 125.10, 124.85, 124.66, 122.92, 122.80, 50.11, 49.30, 36.44, 36.28, 36.15, 33.36, 30.74, 28.24, 24.40, 20.50.

Reference： [1]Patent: WO2009/65406,2009,A2 .Location in patent: Page/Page column 134-135

5
[ 516-09-6 ]
[ 3886-70-2 ]
[ 1352125-80-4 ]

Yield	Reaction Conditions	Operation in experiment
90%	In toluene; at 150℃; for 40h;Inert atmosphere; Sealed vessel;	A 250-mL pressure bottle, charged with R-(+)-α-naphthyl ethyl amine (27.1 g, 0.158 mol), α-methyltetronic acid (18.0 g, 0.158 mol), and toluene (50 mL), was sealed and heated to 150 C. After 40 h, the reaction mixture was cooled, unsealed and diluted with CH2Cl2 (2 L) and filtered through Buchner funnel to remove some undissolved solid. The filtrate was washed with satd. aq NaHCO3 (2×200 mL), H2O (100 mL) and brine (100 mL), dried over Na2SO4, and concentrated in vacuo to afford the crude yellowish solid. The crude solid was suspended in Et2O (100 mL), filtered through a Buchner funnel, rinsed with Et2O (3×50 mL), and concentrated in vacuo to afford 34.0 g (90%) of product 20 as a white crystalline solid. An analytical sample had: [α]22D -196 (c 1.18, 1:1 CH3OH/CHCl3); 1H NMR (1:1 CD3OD/CDCl3): δ 7.78 (d, J=8.4 Hz, 1H), 7.67 (d, J=7.9 Hz, 1H), 7.56 (d, J=7.3 Hz, 1H), 7.36-7.20 (m, 4H), 5.10 (q, J=7.8 Hz, 1H), 4.42 (d, J=15.3 Hz, 1H), 4.29 (s, 1H), 3.96 (d, J=15.3 Hz, 1H), 1.45 (d, J=7.8 Hz, 6H); 13C NMR (1:1 CD3OD/CDCl3): δ 178.2, 163.5, 139.0, 133.8, 129.6, 128.8, 127.8, 126.2, 125.5, 125.3, 121.7, 121.6, 88.6, 65.9, 49.8, 22.5, 6.0; IR (CHCl3): 3374, 3017, 2944, 2833, 1635, 1448 cm-1; EIMS: 267 (M+); HRMS calcd for C17H17NO2: m/z 267.1259. Found: 267.1237. Crude 20 was used without further purification.

Reference： [1]Tetrahedron,2011,vol. 67,p. 9787 - 9808

6
[ 3886-70-2 ]
[ 147118-40-9 ]
[ 1416820-71-7 ]

Yield	Reaction Conditions	Operation in experiment
		7-[4-(4-Fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-3,5- dihydroxy-hept-6-enoic acid methyl ester (1 1.0 g) was dissolved in methanol (1 10 ml) at room temperature and mixture was cooled at 10 - 15°C. Aqueous sodium hydroxide solution (10 percent, 1 1 ml) was added to the reaction mixture at 10-15 °C and stirred for 2 hour at ambient temperature. After completion of reaction, reaction mass was concentrated followed by addition of demineralized water (55 ml) and activated carbon (1.1 g). Reaction mixture was stirred for 15 minutes, filtered through hyflow bed and bed was washed with water. Resulting filtrate was washed with methyl tert-butyl ether (3 x 50ml). Ethyl acetate (1 10 ml) was added to the resulting reaction aqueous layer and pH was adjusted to 1 - 2 by addition of concentrated hydrochloric acid at 10-15 °C. Reaction mixture was stirred for 30 minutes followed by layer separation. Organic layer was washed with brine solution and then concentrated under vacuum. Ethyl acetate (55 ml) was added to resulting residue and cooled reaction to 0 °C. R(+)-l-(l-Naphthyl)ethylamine (3.80 g) in ethyl acetate (1 1 ml) was added to mixture at 0 °C and stirred for 30 minutes at 0 °C. Reaction mixture was stirred at ambient temperature for 12 hours, n- Heptane (44 ml) was added to resulting mixture and cooled reaction mixture at -10 °C. Reaction mixture was stirred for 1 hour at same temperature, filtered, washed with n-heptane and ethyl acetate mixture and dried to give 7.0 g of title compound having purity 98.82 percent by HPLC.

Reference： [1]Patent: WO2012/176218,2012,A1 .Location in patent: Page/Page column 22-23

7
[ 10241-97-1 ]
[ 3886-70-2 ]
(R)-5-methyl-N-[1-(1-naphthyl)ethyl]-1H-indole-2-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 0 - 20℃;	General procedure: To a suspension of 4-methoxyindole-2-carboxylic acid (6, 93.7 mg, 0.49 mmol) in anhydrous dichloromethane (2 mL) was added at room temperature (R)-1-(1-naphthyl)ethylamine (19, 88 mg, 0.52 mmol). The mixture was cooled to 0 °C and N-hydroxybenzotriazole (HOBt, 70.3 mg, 0.52 mmol), N-ethyl-N'-(3-dimethylaminopropyl)carbodiimide (EDCI, 80.7 mg, 0.52 mmol) and triethylamine (52.6 mg, 0.52 mmol) were added. The reaction mixture was stirred for 1 h at 0 °C and then at room temperature for 5 h. Water was added, the mixture was extracted with dichloromethane, the organic extract was dried over sodium sulfate and the solvent was removed under vacuum. The residue was purified by flash chromatography on silica gel (ethyl acetate/heptane 1:4 then 2:3), providing compound 20 as a white powder (153 mg, 91percent);

Reference： [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 554 - 569

8
[ 3886-70-2 ]
[ 109-70-6 ]
[ 325142-82-3 ]
[ 226256-56-0 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 5233 - 5237

9
[ 3886-70-2 ]
[ 13790-39-1 ]
6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazolin-4-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 100℃;	To <strong>[13790-39-1]4-chloro-6,7-dimethoxyquinazoline</strong> (100 mg, 0.445 mmol, commercially available) in 1 .7 ml_ DMSO was added (1 R)-1 -(1 -naphthyl)ethanamine (76 mg, 0.445 mmol, commercially available) and N-ethyl-N-isopropylpropan-2-amine (202 mI, 1 .16 mmol). The reaction was stirred at 100 overnight, cooled to ambient tempe rature and filtered. After removal of the solvent under reduced pressure the crude product was purified via HPLC chromatography to yield the title compound (1 18 mg, 73%). 1 H-NMR (400 MHz ,DMSO-d6), d [ppm]= 1 .72 (3H), 3.90 (6H), 6.32-6.41 (1 H), 7.09 (1 H), 7.46-7.58 (3H), 7.64-7.69 (1 H), 7.78 (2H), 7.92-7.97 (1 H), 8.18-8.24 (2H), 8.28 (1 H).
73%	With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 100℃;	,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazolin-4-amine, whichwasusedtocalibratetheassay,waspreparedasfollows: To<strong>[13790-39-1]4-chloro-6,7-dimethoxyquinazoline</strong>(100mg,0.445mmol,commerciallyavailable)in1.7mLDMSO wasadded(1R)-1-(1-naphthyl)ethanamine(76mg,0.445mmol,commerciallyavailable)andN-ethyl- N-isopropylpropan-2-amine(202μl,1.16mmol).Thereactionwasstirredat100Covernight,cooled toambienttemperatureandfiltered.Afterremovalofthesolventunderreducedpressurethecrude productwaspurifiedviaHPLCchromatographytoyieldthetitlecompound(118mg,73%).1H-NMR (400MHz,DMSO-d6),d[ppm]=1.72(3H),3.90(6H),6.32-6.41(1H),7.09(1H),7.46-7.58(3H),7.64- 7.69(1H),7.78(2H),7.92-7.97(1H),8.18-8.24(2H),8.28(1H).

Reference： [1]Patent: WO2019/201848,2019,A1 .Location in patent: Page/Page column 207
[2]Patent: WO2021/74227,2021,A1 .Location in patent: Page/Page column 307

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Technical Information

? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Friedel-Crafts Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Leuckart-Wallach Reaction ? Mannich Reaction ? Petasis Reaction ? Preparation of Alkylbenzene ? Preparation of Amines ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Specialized Acylation Reagents-Vilsmeier Reagent ? Ugi Reaction ? Vilsmeier-Haack Reaction

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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

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[ CAS No. 3886-70-2 ] {[proInfo.proName]}

Quality Control of [ 3886-70-2 ]

Related Doc. of [ 3886-70-2 ]

Product Details of [ 3886-70-2 ]

Calculated chemistry of [ 3886-70-2 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 3886-70-2 ]

Application In Synthesis of [ 3886-70-2 ]

[ 3886-70-2 ] Synthesis Path-Upstream 1~1

[ 3886-70-2 ] Synthesis Path-Downstream 1~9

Technical Information

Related Functional Groups of [ 3886-70-2 ]

Aryls

Amines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 3886-70-2 ]