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133961-81-6

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133961-81-6 Usage

Chemical Classification

Thioacetic acid derivative

Functional Group

Thioester group (S=C-OH)

Structure

Thioacetic acid backbone with a side chain

Side Chain Components

4-Chlorophenyl group
1-Phenylpropyl group

Synthetic Nature

Synthetic organic compound

Potential Applications

Organic synthesis
Medicinal chemistry

Usage Scenarios

Building block for synthesizing other organic compounds
Starting material for pharmaceutical development

Research and Testing Dependence

Specific properties and uses reliant on further research and testing.

Check Digit Verification of cas no

The CAS Registry Mumber 133961-81-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,3,9,6 and 1 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 133961-81:
(8*1)+(7*3)+(6*3)+(5*9)+(4*6)+(3*1)+(2*8)+(1*1)=136
136 % 10 = 6
So 133961-81-6 is a valid CAS Registry Number.

133961-81-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]sulfanylacetic acid

1.2 Other means of identification

Product number -
Other names 2-{[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]thio}acetic acid

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:133961-81-6 SDS

133961-81-6Downstream Products

133961-81-6Relevant articles and documents

Use of a compound of formula I for making a pharmaceutical composition

-

Page 13, (2008/06/13)

The invention relates to a compound of formula I or pharmaceutically acceptable salts thereof, wherein X is selected from a valence bond, CH2, NH or O, Z is selected from CH or N, Y is selected from a valence bond or CH2, R2 is a hydrogen and R1 is selected from QCO2H or QCN, wherein each Q is independently selected from a valence bond or an optionally substituted C1-3 alkylidene chain, wherein one or two non-adjacent methylene units of Q are optionally and independently replaced by -O-, -S- or -NH-; or R1 is a hydrogen and R2 is selected from QCO2H or QCN, wherein each Q is independently selected from a valence bond or an optionally substituted C1-3 alkylidene chain, wherein one or two non-adjacent methylene units of Q are optionally and independently replaced by -O-, -S- or -NH-, Ar1 is selected from a 5-6 membered monocyclic or 8-10 membered bicyclic heteroaryl ring having 0-4 heteroatoms independently selected from nitrogen, oxygen, or sulphur, wherein Ar1 is optionally substituted by one to four R3 groups and each R3 is independently selected from R4, F, Cl, Br, J, NO2, CN, OR4, AlkylOR4, SR4, N(R4)2, NR4COR4, NR4CON(R4)2, NR4CO2R4, (CO)R4, CO2R4, CON(R4)2, O(CO)N(R4)2, SOR4, SO2R4, SO2N(R4)2, NR4SO2R4, NR4SO2N(R4)2, (CO) (CO)R4, or (CO)CH2(CO)R4; wherein each R4 is independently selected from hydrogen, or from an optionally substituted C1-6 aliphatic group, and wherein two R3 on adjacent positions on Ar3 are optionally taken together to form a saturated, partially unsaturated, or fully unsaturated 4-6 membered ring having 0-3 heteroatoms independently selected from nitrogen, oxygen, or sulphur, and Ar2 is defined like Ar1, above. The invention further relates to methods of use of this compound.

Synthesis and C-S bond fission of 1,3-diaryl-3-thioglycolic acid-1-propanones

Elba, Mohamed E.

, p. 233 - 240 (2007/10/03)

1,3-Diaryl-3-thioglycolic acid-1-propanones 3a-k have been synthesized by the reaction of either erythro-2,3-dibromo-1,3-diaryl-1-propanones 1a-k or their corresponding trans-chalcones 2a-k with disodio-thioglycolate in absolute ethanol. The structure of the products was proven by UV, IR, NMR spectra and elemental analysis. A reaction mechanism leading to the products, and the carbon-sulfur bond fission in alkaline medium were discussed.

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