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

Home Cart 0 Sign in  

[ CAS No. 638-07-3 ] {[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+
Chemical Structure| 638-07-3
Chemical Structure| 638-07-3
Structure of 638-07-3 * Storage: {[proInfo.prStorage]}

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]}

Quality Control of [ 638-07-3 ]

Related Doc. of [ 638-07-3 ]

Alternatived Products of [ 638-07-3 ]
Product Citations

Product Details of [ 638-07-3 ]

CAS No. :638-07-3 MDL No. :MFCD00000939
Formula : C6H9ClO3 Boiling Point : -
Linear Structure Formula :C2H5OOCCH2C(O)CH2Cl InChI Key :OHLRLMWUFVDREV-UHFFFAOYSA-N
M.W : 164.59 Pubchem ID :69484
Synonyms :

Calculated chemistry of [ 638-07-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 37.24
TPSA : 43.37 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.51
Log Po/w (XLOGP3) : 0.87
Log Po/w (WLOGP) : 0.75
Log Po/w (MLOGP) : 0.64
Log Po/w (SILICOS-IT) : 1.35
Consensus Log Po/w : 1.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.08
Solubility : 13.7 mg/ml ; 0.0835 mol/l
Class : Very soluble
Log S (Ali) : -1.36
Solubility : 7.11 mg/ml ; 0.0432 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.73
Solubility : 3.09 mg/ml ; 0.0187 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 638-07-3 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P280-P301+P310-P305+P351+P338-P310 UN#:2922
Hazard Statements:H301-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 638-07-3 ]

* 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.

  • Downstream synthetic route of [ 638-07-3 ]

[ 638-07-3 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 1824-81-3 ]
  • [ 638-07-3 ]
  • [ 87591-74-0 ]
YieldReaction ConditionsOperation in experiment
A mixture of 2-amino-6-methylpyridine (10.00 g, 92.47 mmol), ethyl 4-chloro- acetoacetate (16.24 mL, 120.2 mmol), and polyphosphoric acid (50.00 g) was stirred at 125 0C. After 5.5 h, the mixture was removed from the heat. To the cooled mixture was added ice-water (200 mL) and neutralized with 2 N NaOH (400 mL) to pH 6-7. The resulting precipitate was collected by filtration, washed with water (~ 400 mL), and dried to give 2-(chloromethyl)-6-methyl-4H-pyrido- [l,2-a]pyrimidin-4-one as a dark brown solid: 1H NMR (400 MHz, DMSO-d6) delta ppm 7.68 (1 H, dd, J=9.0, 7.0 Hz), 7.40 (1 H, dd, J=9.0, 0.8 Hz), 6.93 (1 H, d, J=6.7 Hz), 6.36 (1 H, s), 4.58 (2 H, s), 2.93 (3 H, s); Mass Spectrum (ESI) m/e = 208.9 (M + 1).
  • 2
  • [ 1128-56-9 ]
  • [ 638-07-3 ]
  • [ 88569-93-1 ]
  • 3
  • [ 638-07-3 ]
  • [ 777-12-8 ]
  • ethyl-7-trifluoromethylimidazo<2,1-b>benzothiazole-2-acetate [ No CAS ]
  • 4
  • [ 2243-82-5 ]
  • [ 638-07-3 ]
  • [ 579525-03-4 ]
YieldReaction ConditionsOperation in experiment
13% at 160℃; for 1h; A mixture of 2-carbamoylnaphthalene (2.64 g, 15.4 mmol) and ethyl 4-chloroacetoacetate (2.06 g, 12.5 mmol) was stirred at 160°C for 1 hr. and then diluted with ethyl acetate (200 ml) at room temperature. The solution was washed with saturated sodium bicarbonate aqueous solution and brine in turn, and then dried. The solvent was distilled off under reduced pressure, and the residue was purified by column chromatography on silica gel (n-hexane/ethyl acetate = 8 - 4) to give ethyl ester of [2-(2-naphthyl)oxazol-4-yl]acetic acid(459 mg, 13 percent) as yellow crystals. m.p.: 61.5 - 64 °C; IR (Nujol): 1737, 1591 cm-1; 1H-NMR (CDCl3): delta 1.31 (3H, t, J = 7.1 Hz), 3.73 (2H, d, J = 1.1 Hz), 4.24 (2H, q, J = 7.1 Hz), 7.49-7.57 (2H, m), 7.76 (1H, t, J = 1.1 Hz), 7.82-7.95 (3H, m), 8.11 (1H, dd, J = 1.7, 8.7 Hz), 8.58 (1H, br d, J = 1.1 Hz); APCI-MS m/z: 282 [M+H]+.
13% at 160℃; for 1h; 2) A mixture of 2-carbamoylnaphthalene (2.64 g, 15.4 mmol) and ethyl 4-chloroacetoacetate (2.06 g, 12.5 mmol)was stirred at 160° C. for 1 hr. and then diluted with ethyl acetate (200 ml) at room temperature. The solution waswashed with saturated sodium bicarbonate aqueous solution and brine in turn, and then dried. The solvent wasdistilled off under reduced pressure, and the residue was purified by column chromatography on silica gel (nhexane/ethyl acetate=8-4) to give ethyl ester of [2- (2-naphthyl) oxazol-4-yl] acetic acid (459 mg, 13percent) as yellow crystals.m.p.: 61.5-64° C.; IR (Nujol): 1737, 1591 cm-1; 1H-NMR(CDCl3): delta1.31 (3H, t, J=7.1 Hz), 3.73 (2H, d, J=1.1 Hz),4.24 (2H, q, J=7.1 Hz), 7.49-7.57 (2H, m), 7.76 (1H, t, J=1.1 Hz), 7.82-7.95 (3H, m), 8.11 (1H, J=1.7, 8.7 Hz), 8.58(1H, br d, J=1.1 Hz); APCI-MS m/z: 282 [M+H]+
  • 5
  • [ 638-07-3 ]
  • [ 1903-91-9 ]
  • 6-(Chloromethyl)-4-hydroxy-2-(methoxymethyl)-pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium methylate; In methanol; water; EXAMPLE 5 6-(Chloromethyl)-4-hydroxy-2-(methoxymethyl)-pyrimidine Sodium methylate (11.90 g, 0.22 mole) was added to a solution of <strong>[1903-91-9]methoxyacetamidine hydrochloride</strong> (12.45 g, 0.1 mole) and ethyl 4-chloroacetoacetate (16.50 g, 0.1 mole) in methanol (50 ml) at 5 to 10 C. with stirring. The resulting orange reaction mixture was stirred at 5 to 10 C. for 2 hours and then at 20 C. for 3 hours, and neutralized with conc. hydrochloric acid. The precipitate was filtered, and the filtrate was concentrated under reduced pressure to obtain a residue which was then dissolved in water (300 ml). The aqueous solution was extracted with chloroform, and the chloroform extract was dried over anhydrous sodium sulfate, and concentrated under reduced pressure to obtain a crystalline residue. The residue was suspended in ether and then filtered to obtain 17.8 g of 6-(chloromethyl)-4-hydroxy-2-(methoxymethyl)pyrimidine as pale brown needle-like crystals (m.p. 124.0-125.5 C.).
  • 6
  • [ 5319-77-7 ]
  • [ 638-07-3 ]
  • 7-chloromethyl-2-methylthio-5H-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In PPA; EXAMPLE 3 <strong>[5319-77-7]2-amino-5-methylthio-1,3,4-thiadiazole</strong> (9.4 g) was reacted with ethyl 4-chloro-acetoacetate (15.8 g) in polyphosphoric acid (50 g) under stirring at 100 C. for 1 hour. After cooling, dilution with ice water and neutralization with 35% NaOH, the precipitate was filtered and washed with water until neutral to give 7-chloromethyl-2-methylthio-5H-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-one, m.p. 168-169 C. (12.4 g), which was reacted with triphenylphosphine (14.4 g) in acetonitrile (250 ml) under stirring at reflux temperature for 24 hours.
  • 7
  • [ 638-07-3 ]
  • [ 621-63-6 ]
  • [ 225939-10-6 ]
YieldReaction ConditionsOperation in experiment
71.4% To a stirred suspension of 58,8 g 60 percent (1.47 mol) sodium hydride in 600 ml anhydrous tetrahydrofuran, a solution of 94 g (0.7 mol) 2,2-diethoxy-ethanol in 160 ml tetrahydrofuran was added dropwise, so that the temperature was kept below 40 'C. After completion of the addition, the reaction mixture was stirred for further 30 minutes. Then 115 g (0.7 mol) ethyl 4-chloroacetoacetate in 500 ml anhydrous tetrahydrofuran was added dropwise within 3 hours, so that the temperature was kept between 10 °C and 40 °C, preferentially at about 20 'C. The mixture was stirred overnight at room temperature. Then 90 ml ethanol was added dropwise, and the mixture was poured into 900 g of ice after which pH was adjusted to 6 with hydrochloric acid. The organic phase was separated and dried over MgSO4. The tetrahydrofuran was evaporated off and the product was separated from the oily layer in a separation funnel. Then the product was dissolved in toluene and purified by filtration through a short column of silica. The toluene was evaporated off, leaving the product as a light yellow oil. The product was purified by distillation in vacuo. yield: 130.9 g = 71.4 percent bp. = 112-114 'C at 0.2 mm Hg[] Elemental analysis: CalculatedC 54.9percentH 8.5percentFoundC 54.48percentH 8.7percentIR: 2986 cm-1; 1726 cm-1; 1748 cm-1; 1119 cm-1; 1067 cm-1 (Between KBr plates) NMR: 250 MHz 1H-NMR (CDCl3) (delta ppm): 4.646 (t, H, CH); 4.286 (s, 2H, CH2); 4.224 (s, 2H, CH2); 3,708 (q, 2H, CH2); 3.568 (q, 2H, CH2); 3.556 (d, 2H, CH2) ; 1.30 (t, 3H, CH3); 1.21 (m, 6H, CH3).
  • 8
  • [ 638-07-3 ]
  • [ 4922-98-9 ]
  • [ 1227417-79-9 ]
YieldReaction ConditionsOperation in experiment
67% With acetic acid; at 80℃; for 24h; Example 1; Part A; To the solution of 3-phenyl-1H-1 ,2,4-triazol-5-amine (0.8 g, 5 mmol) in acetic acid (6 mL) was added ethyl 4-chloro-3-oxobutanoate (0.75 mL, 5.5 mmol). The reaction mixture was stirred for 24 hours at 80 0C, and then cooled to room temperature. The reaction mixture was filtered. The precipitates were washed with ACN and dried to give compound 1-1 in a white powder (872 mg, 67percent yield). 1H NMR (400 MHz, CD3OD) delta 8.24-8.18 (m, 2H), 7.54-7.46 (m, 3H), 6.21 (s, 1H), 4.65 (s, 2H).; Example 6; Part A; To the solution of 3-phenyl-1 H-1 ,2,4-triazol-5-amine (0.8 g, 5 mmol) in acetic acid (6 ml_) was added ethyl 4-chloro-3-oxobutanoate (0.75 ml_, 5.5 mmol).The reaction mixture was stirred for 24 hours at 80 0C, and then cooled to room temperature. The reaction mixture was filtered. The precipitates were washed with ACN and dried to give compound 1-1 in a white powder (872 mg,67percent yield). 1H NMR (400 MHz, CD3OD) delta 8.24-8.18 (m, 2H), 7.54-7.46 (m,3H), 6.21 (s, 1 H), 4.65 (s, 2H).; Example 12; Part A; To the solution of 3-phenyl-1 H-1 ,2,4-triazol-5-amine (0.8 g, 5 mmol) in acetic acid (6 mL) was added ethyl 4-chloro-3-oxobutanoate (0.75 mL, 5.5 mmol). The reaction mixture was stirred for 24 hours at 80 0C, and then cooled to room temperature. The reaction mixture was filtered. The precipitates were washed with ACN and dried to give compound 1-1 in a white powder (872 mg, 67percent yield). 1H NMR (400 MHz, CD3OD) delta 8.24-8.18 (m, 2H), 7.54-7.46 (m, 3H), 6.21 (s, 1 H), 4.65 (s, 2H).
65.1% With acetic acid; at 80℃; <strong>[4922-98-9]3-phenyl-1H-1,2,4-triazole-5-amine</strong> (0.95 g, 5.93 mmol) obtained in Step 3-2 was dissolved in 15 mL of acetic acid and ethyl 4-chloroacetoacetate (1.07 g , 6.52 mmol), and the mixture was stirred at 80 ° C. overnight. After completion of the reaction, the precipitate was suction filtered to obtain 5-methylchloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (1.0 g, 86 mmol; yield 65.1percent)
  • 9
  • [ 75-15-0 ]
  • [ 2895-21-8 ]
  • [ 638-07-3 ]
  • [ 109-77-3 ]
  • [ 879033-77-9 ]
  • 10
  • [ 75-15-0 ]
  • [ 638-07-3 ]
  • [ 19047-31-5 ]
  • [ 109-77-3 ]
  • [ 879033-82-6 ]
  • 11
  • [ 638-07-3 ]
  • [ 104-94-9 ]
  • [ 27143-07-3 ]
YieldReaction ConditionsOperation in experiment
EXAMPLES; Example 1; To a 30 gallon glass-lined reactor was charged water (26 L) and p-anisidine (8.5 kg; 68.1 moles). The reactor was inerted, and 20.1 kg 37percent HCl (3 eq.) were charged to the reactor followed by a line flush of 2 L purified water. The batch was heated to 40° C. and checked to ensure dissolution of p-anisidine (total time at 40° C. was 25 minutes). The batch was cooled to -2° C. and 40percent aqueous sodium nitrite (12.0 kg; 69.5 moles) was charged to the reactor while keeping the temperature at -2+/-3° C. The addition time for the aqueous sodium nitrite was 35 minutes. The sodium nitrite line was flushed with 2 L of purified water. The reaction mixture was sampled and analyzed for reaction completion. To the batch was added 3.0 kg of 11percent aqueous sulfamic acid via nitrogen pressure, keeping the reactor contents at -2+/-3° C. In a separate 100 gallon glass-lined reactor, 28 L of purified water was charged followed by 11.2 kg of solid sodium acetate. The reactor was inerted, and the batch was heated to 35° C. until the solid dissolved. The batch was cooled to 15° C. and 18 kg acetone was added to the reactor. To the reactor was added 12.4 kg ethyl-2-chloroacetoacetate by deadhead vacuum, followed by 2.1 kg of acetone to flush the addition line. The batch was cooled to -2+/-3° C. The contents of the above 30 gallon reactor were then transferred to the 100 gallon reactor keeping the batch in the 100 gallon reactor at -2+/-3° C. The transfer time was 45 minutes. The transfer line was flushed with 5.0 kg of acetone, and the batch was allowed to mix for one hour. To the reactor was charged 32.0 kg of acetone, and the batch was mixed for 15 minutes. The batch was allowed to settle for 30 minutes. To the reactor was charged 10.2 kg of acetone and the batch was mixed for 5 minutes. Agitation was stopped and the batch was allowed to settle for 30 minutes. The aqueous phase was discharged to a drum (140.2 kg; waste). To the reactor was charged 13.4 kg of methanol, controlling the reactor temperature to 0+/-3° C. The batch was held at 0+/-3° C. and sampled every hour until the reaction was complete. To the reactor was charged 75 L of purified water. The batch was heated to 5+/-5° C. and allowed to mix for 15 minutes. The batch was isolated using a portable centrifuge with a 5-7 micron polypropylene bag. The isolation lasted 10 minutes (109 kg of centrate). To the reactor was charged 26 L of purified water and 20.2 kg of methanol. The mixture was cooled to 5+/-3° C. and then discharged to the centrifuge to wash the cake. The wet cake (14.5 kg) was transferred to drying trays covered with FEP liners. The cake was dried at 40° C. for 80 hours to give 13.8 kg of the desired product.
  • 12
  • [ 638-07-3 ]
  • [ 32202-61-2 ]
  • C13H13NO2 [ No CAS ]
  • 13
  • [ 638-07-3 ]
  • [ 349-58-6 ]
  • [ 1353230-22-4 ]
  • 14
  • [ 638-07-3 ]
  • [ 349-58-6 ]
  • [ 1227692-71-8 ]
  • 15
  • [ 53051-97-1 ]
  • [ 638-07-3 ]
  • 10-(chloromethyl)-7-thia-1,9-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-12-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
4% With polyphosphoric acid; at 110℃; for 1h; A mixture of 4H,5H,6H-cyclopenta[d][l,3]thiazol-2-amine (2.00 g, 14.3 mmol) and ethyl 4- chloro-3-oxobutanoate (3.50 g, 21.3 mmol) in polyphosphoric acid (15 mL) was stirred for 1 h at 110 C. The reaction mixture cooled to room temperature, diluted with water (30 mL) and stirred for 1 h at 80 C. After cooling to room temperature, the reaction was quenched by water (200 mL), and the pH value ofthe solution was adjusted to pH 8-9 with potassium carbonate, extracted with dichloromethane (100 mL x 3), washed with brine, dried over sodium sulfate and concentrated in vacuo. The residue was purified by chromatogtaphy with 20% ethyl acetate in petroleum ether to afford 10-(chloromethyl)-7-thia-l,9- diazatricyclo[6.4.0.0' [2,6]]dodeca-2(6),8,10-trien-12-one as a brown solid (150 mg, 4.0%). LCMS (ESI): M+H+ =241.1.
Recommend Products
Same Skeleton Products

Technical Information

? Acyl Group Substitution ? Alkyl Halide Occurrence ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Bouveault-Blanc Reduction ? Bucherer-Bergs Reaction ? Catalytic Hydrogenation ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Ester Cleavage ? Fischer Indole Synthesis ? General Reactivity ? Grignard Reaction ? Heat of Combustion ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions with Organometallic Reagents ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Carbodiimides and Related Reagents ? Specialized Acylation Reagents-Ketenes ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
Historical Records
; ;