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CAS No.: | 141109-19-5 |
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Name: | D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride |
Molecular Structure: | |
Formula: | C15H17Cl2NO2S |
Molecular Weight: | 346.277 |
Synonyms: | Benzeneaceticacid, 2-chloro-a-[[2-(2-thienyl)ethyl]amino]-,methyl ester, hydrochloride, (S)-;(+)-(S)-Methyl a-[[2-(2-thienyl)ethyl]amino]-a-(2-chlorophenyl)acetate hydrochloride;(S)-(+)-Methyl a-[[2-(thien-2-yl)ethyl]amino]-a-(2-chlorophenyl)acetatehydrochloride;S-(+)-Methyl-α-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride;Benzeneacetic acid,2-chloro-a-[[2-(2-thienyl)ethyl]amino]-,methyl ester, hydrochloride (1:1), (aS)-; |
EINECS: | 604-219-8 |
Boiling Point: | 483.8 °C at 760 mmHg |
Flash Point: | 246.4 °C |
PSA: | 66.57000 |
LogP: | 4.64080 |
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1. Introduction of D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride
D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride is one kind of white powder. The Systematic Name of this chemical is 2-(2-Chlorophenyl)-N-[2-(thiophen-2-yl)ethyl]alanine hydrochloride (1:1). Its Product Categories is Pharmaceutical Intermediates. Besides, it is a Clopidogrel intermediate.
2. Properties of D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride
Physical properties about D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride are:
(1)Nominal Mass: 345 Da; (2)Average Mass: 346.272 Da; (3)Monoisotopic Mass: 345.035704 Da; (4)H bond acceptors: 3; (5)H bond donors: 2; (6)Freely Rotating Bonds: 6; (7)Flash Point: 246.4 °C; (8)Enthalpy of Vaporization: 78.89 kJ/mol; (9)Boiling Point: 483.8 °C at 760 mmHg; (10)Vapour Pressure: 3.58E-10 mmHg at 25 °C.
3. Structure Descriptors of D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride
(1)SMILES: Cl.Clc1ccccc1C(C)(NCCc2cccs2)C(O)=O
(2)InChI: InChI=1/C15H16ClNO2S.ClH/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;/h2-7,10,17H,8-9H2,1H3,(H,18,19);1H
(3)InChIKey: SPKSLJVMZVRFDY-UHFFFAOYAI
4. Uses of D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride
D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride is an intermediates of Clopidogrel bisulfate. It can be used in the synthesis of Clopidogrel. In addition, D-(+)-Methyl-alpha-(2-thienylethamino)(2-chlorophenyl)acetate hydrochloride is can be used in medicines for it is a intermediate.