5285-95-0

Basic information

• Product Name: Thiocyanic acid, 2-benzoxazolyl ester
• CAS NO: 5285-95-0
• Molecular Formula: C8H4N2OS
• Molecular Weight: 176.199
• Mol File: 5285-95-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Thiocyanic acid, 2-benzoxazolyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Thiocyanic acid, 2-benzoxazolyl ester(5285-95-0)
• EPA Substance Registry System: Thiocyanic acid, 2-benzoxazolyl ester(5285-95-0)

Safety Data

• Hazardous Substances Data: 5285-95-0(Hazardous Substances Data)

Upstream product

• 2382-96-9 benzo[d]oxazole-2-(3H)-thione 
• 90430-51-6 2-Formylphenylcyanat 
• 2983-74-6 4-methoxyphenyl cyanate 
• 1128-22-9 2-cyanato-acetophenone 

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.