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Thiobenzoic acid S-[2-(benzoylamino)phenyl] ester, also known as 2-(benzamido)phenyl thiobenzoate, is a chemical compound with the molecular formula C22H17NO2S. It is a thiobenzoic acid ester featuring a benzoylamino group attached to the phenyl ring. Thiobenzoic acid S-[2-(benzoylamino)phenyl] ester is recognized for its role as a building block in organic synthesis and chemical reactions, primarily due to its thiobenzoate ester functional group, which allows for the modification and derivatization of other chemical compounds. Its potential pharmaceutical applications and biological activities make it a valuable intermediate in the production of various drugs and chemicals. Furthermore, it serves as an important reference compound in organic chemistry for investigating structure-activity relationships and molecular interactions.

1047-61-6

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1047-61-6 Usage

Uses

Used in Organic Synthesis:
Thiobenzoic acid S-[2-(benzoylamino)phenyl] ester is used as a building block for the synthesis of various organic compounds due to its reactive thiobenzoate ester functional group, which facilitates the modification and derivatization of other molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Thiobenzoic acid S-[2-(benzoylamino)phenyl] ester is utilized as a valuable intermediate in the development and production of drugs, leveraging its potential biological activities and pharmaceutical applications.
Used in Chemical Research:
As a reference compound in the field of organic chemistry, Thiobenzoic acid S-[2-(benzoylamino)phenyl] ester is employed for studying structure-activity relationships and molecular interactions, contributing to a deeper understanding of chemical compound behavior and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1047-61-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,4 and 7 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1047-61:
(6*1)+(5*0)+(4*4)+(3*7)+(2*6)+(1*1)=56
56 % 10 = 6
So 1047-61-6 is a valid CAS Registry Number.
InChI:InChI=1/C20H15NO2S/c22-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)24-20(23)16-11-5-2-6-12-16/h1-14H,(H,21,22)

1047-61-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name S-(2-benzamidophenyl) benzenecarbothioate

1.2 Other means of identification

Product number -
Other names N,S-dibenzoyl-o-aminothiophenol

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:1047-61-6 SDS

1047-61-6Relevant academic research and scientific papers

Synthesis of C- and N-Substituted 1,5,2,6-Dithiadiazocanes –Electrophilic-Nucleophilic Thioamination (ENTA) Reagents

Bagd?iūnas, Gintautas,Javorskis, Tomas,Jurys, Arminas,Orentas, Edvinas

supporting information, p. 3329 - 3335 (2021/07/02)

A synthetic method is presented for S?N bond formation starting from cheap and affordable materials. We show that (un)substituted N-protected cyclic eight-membered C2-symmetric sulfenamides have been prepared in a few steps using this procedure. The synthetic utility of these ambipolar derivatives was demonstrated in a variety of synthetic transformations affording different S,N-heterocyles of pharmaceutical relevance in one or two steps from simple starting materials. (Figure presented.).

Metal-free synthesis of benzothiazoles from disulfides of 2-aminobenzenethiol and carboxylic acid via PCl3-promoted tandem reaction

Du, Guangyan,Zhu, Ning,Han, Limin,Hong, Hailong,Suo, Quanling

, p. 1723 - 1734 (2015/12/12)

A metal-free process for the synthesis of benzothiazoles via PCl3-promoted cleavage/acylation/ cyclization of disulfides and carboxylic acids has been developed. In addition to acting as the acylating reagent which converted carboxylic acids into acyl chlorides, PCl3 also converted disulfides to thiols, which promoted disulfides of 2-aminobenzenethiol reacted with carboxylic acid to produce benzothiazoles. The developed method is applicable to a wide range of carboxylic acids containing different functional groups.

PhCOCI-Py/basic alumina as a versatile reagent for benzoylation in solvent-free conditions

Paul, Satya,Nanda, Puja,Gupta, Rajive

, p. 374 - 380 (2007/10/03)

A solvent-free procedure using PhCOCl-Py/basic alumina under microwave irradiation has been developed for N-, O- and S-benzoylation.

THERMAL REARRANGEMENT OF O-THIOACYL DERIVATIVES OF N-ACYL-N-ARYLHYDROXYLAMINES

Drozd, V.N.

, p. 317 - 326 (2007/10/02)

The ability of the Ar-N-O-C=S system of atoms to undergo a thermal rearrangement of the Claisen type was investigated.On the basis of the experimental data it was concluded that the process is predominantly nonconcerted in nature.

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