64805-64-7

Basic information

• Product Name: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate
• Synonyms: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate;3-Acetylthio-2-Methylpropionyl Chloride;3-ACETYLSULFUR-2-METHYLPROPIONYL CHLORIDE;Ethanethioic acid S-(3-chloro-2-methyl-3-oxopropyl)ester;ethanethioic acid, s-(3-chloro-2-methyl-3-oxopropyl) ester;ethanethioic acid, s-(3-chloro-2-methyl-3-oxopropyl)ester;Thioacetic acid S-(2-chloroformylpropyl) ester
• CAS NO: 64805-64-7
• Molecular Formula: C₆H₉ClO₂S
• Molecular Weight: 180.65246
• EINECS: 265-242-3
• Mol File: 64805-64-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 229.1 °C at 760 mmHg
• Flash Point: 92.3 °C
• Appearance: /
• Density: 1.224 g/cm³
• Vapor Pressure: 0.0709mmHg at 25°C
• Refractive Index: 1.49
• CAS DataBase Reference: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate(CAS DataBase Reference)
• NIST Chemistry Reference: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate(64805-64-7)
• EPA Substance Registry System: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate(64805-64-7)

Safety Data

• Hazardous Substances Data: 64805-64-7(Hazardous Substances Data)

Usage

General Description

S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate is a complex chemical compound. The exact function and use of this chemical can vary extensively depending on its context. Research shows that chemical substances with these types of properties can be applied in a number of industrial applications, such as the synthesis of a wide range of pharmaceutical drugs and agrochemicals. It is this chemical's particular structure and binding properties that make it useful in such contexts. However, there is limited detailed information available, and the toxicity and possible hazards of this chemical haven't been extensively studied. Therefore, caution should be exercised when handling it.

InChI:InChI=1/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3

Upstream product

• 33325-40-5 3-(acetylthio)-2-methylpropanoic acid 
• 79-41-4 poly(methacrylic acid) 
• 507-09-5 tiolacetic acid 

Downstream Products

• 86323-69-5 [(3-Acetylsulfanyl-2-methyl-propionyl)-(4-propoxy-phenyl)-amino]-acetic acid ethyl ester 
• 86323-70-8 [(3-Acetylsulfanyl-2-methyl-propionyl)-(3,4-dimethoxy-phenyl)-amino]-acetic acid ethyl ester 
• 80828-15-5 (2α,3aβ,7aβ)-1-<3-(acetylthio)-2-methyl-1-oxopropyl>octahydro-1H-indole-2-carboxylic acid 
• 80828-15-5 (2R,3aR,7aR)-1-((S)-3-Acetylsulfanyl-2-methyl-propionyl)-octahydro-indole-2-carboxylic acid 
• 93040-14-3 N-<3-(acetylthio)-2-methylpropanoyl>-N-cyclohexylglycine tert-butyl ester 

Relevant articles and documents

Tetrahydroisoquinoline derivative and application thereof

The invention belongs to the technical field of medicines, relates to a 2-{(2s)-1-[(2S)-3-ethanethioate-2-methyl propionyl] pyrrolidine-2-formamido}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester derivative and an application thereof, and in particular relates to a stereomer and a pharmaceutically acceptable salt of the compound. The general structural formula is as shown in the specification. The 2-{(2s)-1-[(2S)-3-ethanethioate-2-methyl propionyl] pyrrolidine-2-formamido}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester compound as well as pharmaceutically acceptable acid and additive salt of the compound can be combined with an existing medicine and can be individually used as an angiotensin-converting enzyme inhibitor to be applied to treatment of hypertension. Compared with the prior art, 6,7,8 side chains of a tetrahydroisoquinoline ring are obviously changed; the inhibition rate of the sample on angiotensin-converting enzyme is significantly improved; and the tetrahydroisoquinoline derivative has good application values and development and application prospects.

Asymmetric induction in the conjugate addition of thioacetic acid to methacrylamides with chiral auxiliaries

The conjugate addition of thioacetic acid to methacrylamides with chiral C2-symmetric trans-2,5-disubstituted pyrrolidines afforded the addition products in excellent stereoselectivities (>99% de) and good yields (80-90%). The high selectivity was attributed mainly to the steric effect of the chiral auxiliaries. The cyclic nature of the chiral auxiliaries seemed also important for both the stereoselectivity and the reaction rate. Acidic hydrolysis of the adduct containing (2R,5R)-bis(methoxymethyl)pyrrolidine gave (S)-3-mercapto-2-methylpropanoic acid, a key intermediate for captopril, in 98% ee and 96% yield. The chiral auxiliary was recovered in the demethylated form of N-Boc-(2R,3R)-bis(hydroxymethyl)pyrrolidine in 90% yield.

Potent orally active inhibitors of angiotensin-converting enzyme (ACE)

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