BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER

Base Information

• Chemical Name: BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER
• CAS No.: 10371-42-3
• Molecular Formula: C14H12 O S
• Molecular Weight: 228.315
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90146027
• Nikkaji Number: J42.025E
• Wikidata: Q83010750
• Mol file: 10371-42-3.mol

Synonyms:10371-42-3;S-(4-methylphenyl) benzenecarbothioate;BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER;S-(p-Tolyl) thiobenzoate;BRN 2049264;Thiobenzoic acid S-(4-methylphenyl);THIOBENZOIC ACID S-P-TOLYL ESTER;S-(p-tolyl) benzothioate;SCHEMBL5696801;DTXSID90146027;thiobenzoic acid S-(p-tolyl) ester;STK701859;s-(4-Methylphenyl)benzenecarbothioate;AKOS002161601;NCGC00339055-01;LS-38343;AB01330931-02;Benzenecarbothioic acid, S-(4-methylphenyl) ester;[(4-METHYLPHENYL)SULFANYL](PHENYL)METHANONE

Chemical Property of BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER

Chemical Property:

• Vapor Pressure: 0.00011mmHg at 25°C
• Boiling Point: 336.7°Cat760mmHg
• Flash Point: 144°C
• PSA: 42.37000
• Density: 1.17g/cm³
• LogP: 3.92750
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.06088618
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

S-(PARA-TOLYL) THIOBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2

Technology Process of BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER

There total 68 articles about BENZOIC ACID, THIO-, S-(p-TOLYL) ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

para-thiocresol (106-45-6) + Benzoylformic acid (611-73-4) → di(p-tolyl) disulfide (103-19-5) + S-(4-methylphenyl) thiobenzoate (10371-42-3)

Guidance literature:

With dipotassium peroxodisulfate; In water; acetonitrile; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1039/c5ob00769k

Reference yield: 99.0%

di(p-tolyl) disulfide (103-19-5) + benzoyl chloride (98-88-4) → S-(4-methylphenyl) thiobenzoate (10371-42-3)

Guidance literature:

With fac-tris(2-phenylpyridinato-N,C₂')iridium(III); diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; at 23 ℃; for 6h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.9b01218

Reference yield: 99.0%

para-thiocresol (106-45-6) + Benzoylformic acid (611-73-4) → S-(4-methylphenyl) thiobenzoate (10371-42-3)

Guidance literature:

With dipotassium peroxodisulfate; In water; acetonitrile; at 70 ℃; for 24h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1039/c5ob00769k

upstream raw materials:

benzoic acid phenyl ester

benzoic acid ethyl ester

p-tolyl vinyl sulfide

benzoyl chloride

Downstream raw materials:

N-(p-methoxyphenyl)benzamide

dodecanophenone

S-[4-(dibromomethyl)phenyl] benzenecarbothioc acid

S-[4-(bromomethyl)phenyl] benzenecarbothioc acid

Refernces

• 1、 Qiu, Ren Hua,Xu, Xin Hua,Li, Yin Hui,Shao, Ling Ling,Zhang, Guo Ping,An, De Lie. "Air-stable, cationic, Lewis acid, titanocene perfluorooctanesulfonate- catalyzed reductive cleavage of S-S bond by zinc and its application in synthesis of thioesters". . p. 3309 - 3314. Retrieved 2010.
• 2、 Singh, Pallavi,Peddinti, Rama Krishna. "Methanesulfonic anhydride-promoted sustainable synthesis of thioesters from feedstock acids and thiols". . . Retrieved 2021/02/22.
• 3、 -. "Method for synthesizing thioester through cross-coupling of visible light-catalyzed sodium sulfinate and acyl chloride". Paragraph 0016-0019. . Retrieved 2021/09/11.