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S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate is a complex chemical compound with a unique structure and binding properties that make it valuable for various industrial applications. It is known for its potential use in the synthesis of pharmaceutical drugs and agrochemicals, although detailed information and extensive studies on its toxicity and hazards are limited.

64805-64-7

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64805-64-7 Usage

Uses

Used in Pharmaceutical Industry:
S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate is used as a synthetic intermediate for the production of various pharmaceutical drugs. Its particular structure and binding properties allow it to be a key component in the development of new medications.
Used in Agrochemical Industry:
S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate is used as a synthetic intermediate for the production of agrochemicals. Its unique chemical properties contribute to the creation of effective agricultural products, such as pesticides and herbicides.
Note: Due to the limited information available on the toxicity and hazards of S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate, it is essential to exercise caution when handling this chemical compound. Further research and studies are needed to better understand its potential risks and ensure safe usage in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 64805-64-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,4,8,0 and 5 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 64805-64:
(7*6)+(6*4)+(5*8)+(4*0)+(3*5)+(2*6)+(1*4)=137
137 % 10 = 7
So 64805-64-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3

64805-64-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate

1.2 Other means of identification

Product number -
Other names 2-acetylthiomethyl-propionyl chloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:64805-64-7 SDS

64805-64-7Relevant academic research and scientific papers

Tetrahydroisoquinoline derivative and application thereof

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Paragraph 0033; 0042, (2016/10/27)

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.

ACE inhibitors hypothesis generation for selective design, synthesis and biological evaluation of 3-mercapto-2-methyl-propanoyl-pyrrolidine-3-imine derivatives as antihypertensive agents

Ismail, Mohamed A.H.,Nabil Aboul-Enein,Abouzid, Khaled A.M.,Abou El Ella, Dalal A.,Ismail, Nasser S.M.

scheme or table, p. 3739 - 3746 (2009/09/30)

A series of new 3-mercapto-2-methyl-propanoyl-pyrrolidine derivatives (V, VIa-e) were designed. A new validated ACE inhibitors pharmacophore model (hypothesis) was generated for the first time in this research from the biologically active (frozen) conform

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

Kim, Byung Hyun,Lee, Hee Bong,Hwang, Jae Kwang,Kim, Young Gyu

, p. 1215 - 1220 (2007/10/03)

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.

Angiotensin-Converting Enzyme Inhibitors. New Orally Active Antihypertensive (Mercaptoalkanoyl)- and glycine Derivatives

Suh, John T.,Skiles, Jerry W.,Williams, Bruce E.,Youssefyeh, Raymond D.,Jones, Howard,et al.

, p. 57 - 66 (2007/10/02)

A variety of N-substituted (mercaptoalkanoyl)- and glycine derivatives was synthesized and their ability in inhibiting the activity of angiotensin-converting enzyme (ACE) was examined in vitro and in vivo.The acylthio derivatives prepared are assumed to act as prodrugs since they are much less active than the corresponding free SH compounds in vitro and can be expected to act in vivo only after conversion to the free sulfhydryl compounds.A number of this compounds are potent ACE inhibitors that lowered blood pressure in Na-deficient, conscious spontaneously hypertensive rats (SHR), a high renin model.One of the most active members of the series was (S)-N-cyclopentyl-N--2-methyl-1-oxopropyl>glycine (REV 3659-(S), pivopril).Structure-activity relationships are discussed.

HALOGENATED SUBSTITUTED MERCAPTOACYLAMINO ACIDS

-

, (2008/06/13)

New halogen substituted mercaptoacylamino acids which have the general formula STR1 and basic salts thereof are useful as hypotensive agents.

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