70989-54-7

Basic information

• Product Name: 3(2H)-Benzoxazolecarboximidic acid, 2-thioxo-, 4-methoxyphenyl ester
• CAS NO: 70989-54-7
• Molecular Formula: C15H12N2O3S
• Molecular Weight: 300.338
• Mol File: 70989-54-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3(2H)-Benzoxazolecarboximidic acid, 2-thioxo-, 4-methoxyphenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3(2H)-Benzoxazolecarboximidic acid, 2-thioxo-, 4-methoxyphenyl ester(70989-54-7)
• EPA Substance Registry System: 3(2H)-Benzoxazolecarboximidic acid, 2-thioxo-, 4-methoxyphenyl ester(70989-54-7)

Safety Data

• Hazardous Substances Data: 70989-54-7(Hazardous Substances Data)

Upstream product

• 70989-49-0 2-thioxo-benzooxazole-3-carboximidic acid phenyl ester 
• 2382-96-9 benzo[d]oxazole-2-(3H)-thione 
• 2983-74-6 4-methoxyphenyl cyanate 

Relevant articles and documents

Acylation of Heterocycles with Carbonic Acid Derivatives. IV. Reaction of Benzoxazolin-2-thione with Aryl Cyanates. Kinetics and Mechanism

The arylcyanate benzoxazoline-2-thione (1) reaction in the presence and absence of the tertiary amines yields 1-aryloxyiminocarbonylbenzoxazoline-2-thione (2) and 2-thiocyanato-benzoxazole (4).A mechanism is proposed based on the influences of the reactants concentration, the concentration and basicity of tertiary amines, the solvent-water concentration, the arylcyanate substituents electronic effects on the reaction rate and the apparent activation parameters.This mechanism consists in the nucleophilic attack of the benzoxazoline-2-thione S-atom on the cyanate, followed by rearrangement through a four-center transition state.