71528-27-3

Basic information

• Product Name: 3-<(2-Benzoxazolyl)thiomethyl>-2(3H)-benzoxazolethione
• Synonyms: 3-<(2-Benzoxazolyl)thiomethyl>-2(3H)-benzoxazolethione
• CAS NO: 71528-27-3
• Molecular Weight: 314.389
• Mol File: 71528-27-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-<(2-Benzoxazolyl)thiomethyl>-2(3H)-benzoxazolethione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-<(2-Benzoxazolyl)thiomethyl>-2(3H)-benzoxazolethione(71528-27-3)
• EPA Substance Registry System: 3-<(2-Benzoxazolyl)thiomethyl>-2(3H)-benzoxazolethione(71528-27-3)

Safety Data

• Hazardous Substances Data: 71528-27-3(Hazardous Substances Data)

Upstream product

• 55042-38-1 3-(Chloromethyl)-2-benzoxazolinethione 
• 151-50-8 potassium cyanide 

Relevant articles and documents

Synthesis of 2-Thioxo-3-benzothiazolineacetonitrile and Related Products

Attempts to thermally rearrange 2-benzothiazolylthioacetonitrile (1) to the titled compound 8 failed.The reaction of 3-chloromethyl-2-benzothiazolinethione with potassium cyanide in dimethylformamide (DMF) or dimethylsulfoxide (DMSO) at 25-30 deg C afforded 8 in 98percent yield.Whereas replacing the DMF or DMSO solvent with acetone furnished the unexpected sulfide 9 in 92percent yield.Substituting 3-chloromethyl-2-benzoxazolinethione as the electrophile in the same reaction gave the sulfide 10 in 95percent yield.Possible mechanisms and supporting nmr data are discussed.