63208-63-9

Basic information

• Product Name: Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester
• Synonyms: Benzoic acid,4-[(phenylthioxomethyl)amino]-,ethyl ester;Ethyl N-thiobenzoyl-p-aminobenzoat;N-(4-ethoxycarbonylphenyl)thiobenzamide
• CAS NO: 63208-63-9
• Molecular Formula: C16H15NO2S
• Molecular Weight: 285.367
• Mol File: 63208-63-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 146.5-147.5 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
• Boiling Point: 415.3±47.0 °C(Predicted)
• Density: 1.237±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester(63208-63-9)
• EPA Substance Registry System: Benzoic acid, 4-[(phenylthioxomethyl)amino]-, ethyl ester(63208-63-9)

Safety Data

• Hazardous Substances Data: 63208-63-9(Hazardous Substances Data)

Upstream product

• 736-40-3 N-benzoylbenzocaine 

Downstream Products

• 19989-70-9 ethyl 2-phenylbenzo[d]thiazole-6-carboxylate 
• 736-40-3 N-benzoylbenzocaine 

Relevant articles and documents

Organocatalytic syntheses of benzoxazoles and benzothiazoles using aryl iodide and oxone via C-H functionalization and C-O/S bond formation

An organocatalytic protocol for the syntheses of 2-substituted benzoxazoles and benzothiazoles is described from alkyl-/arylanilides and alkyl-/arylthioanilides using 1-iodo-4-nitrobenzene as catalyst and oxone as an inexpensive and environmentally safe terminal oxidant at room temperature in air via oxidative C-H functionalization and C-O/S bond formation. The procedure is simple and general and provides an effective route for the construction of functionalized 2-alkyl-/arylbenzoxazoles and 2-alkyl-/arylbenzothiazoles with moderate to high yields. The synthetic and mechanistic aspects have been described.

Palladium-catalyzed synthesis of 2-substituted benzothiazoles via a C-H functionalization/intramolecular C-S bond formation process

(Chemical Equation Presented) Catalytic synthesis of 2-substituted benzothiazoles from thiobenzanilides was achieved in the presence of a palladium catalyst through C-H functionalization/C-S bond formation. This method features the use of a novel catalytic system consisting of 10 mol % of Pd(II), 50 mol % of Cu(I), and 2 equiv of Bu4NBr that produced variously substituted benzothiazoles in high yields with good functional group tolerance.