Home > All categories> Biochemicals and Pharmaceutical Chemicals> Active Pharmaceutical Ingredients (APIs)> Cardiovascular system> 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

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Origin: China

Cas No: 111902-57-9

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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Product Description

Property

CAS No.: 111902-57-9 Formula: C23H28N2O5S2 Molecular Weight: 476.60900

Description

Temocapril (also known as temocaprilum [Latin]; brand name Acecol) is an ACE inhibitor. It was not approved for use in the US.

Basic Info

Chemical Name	2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Synonyms	2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid; 2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid; TemocaprilnDiscontinued; 2-[(2S)-6-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid; TEMOCAPRIL; 2-((2S,6R)-6-((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-ylamino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)aceticacid; Temocapil;
CAS No.	111902-57-9
Molecular Formula	C23H28N2O5S2
Molecular Weight	476.60900
PSA	149.48000
LogP	3.30070

Properties

Appearance & Physical State	White powder
Density	1.33 g/cm3
Boiling Point	717.4ºC at 760 mmHg
Melting Point	>230ºC (dec)
Flash Point	387.7ºC

Synthesis Route

(S)-ethyl 2-(((2S,6R)-4-(2-(tert-butoxy)-2-oxoethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoate→2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
(R)-2-<(4-nitrobenzolsulfonyl)oxy>-4-phenylbuttersaeure-ethylester→2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
(2R,6R)-6-amino-2-thiophen-2-yl-1,4-thiazepan-5-one→2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

Precursor

(2R,6R)-6-amino-2-thiophen-2-yl-1,4-thiazepan-5-one
(S)-ethyl 2-(((2S,6R)-4-(2-(tert-butoxy)-2-oxoethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoate
tert-butyl 2-[(2S,6R)-6-amino-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetate
(R)-2-<(4-nitrobenzolsulfonyl)oxy>-4-phenylbuttersaeure-ethylester

Downstream Product

Ethanol
Temocaprilat

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