49602-78-0

Basic information

• Product Name: Isothiazole, 3-(4-methylphenyl)-
• CAS NO: 49602-78-0
• Molecular Formula: C10H9NS
• Molecular Weight: 175.254
• Mol File: 49602-78-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Isothiazole, 3-(4-methylphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Isothiazole, 3-(4-methylphenyl)-(49602-78-0)
• EPA Substance Registry System: Isothiazole, 3-(4-methylphenyl)-(49602-78-0)

Safety Data

• Hazardous Substances Data: 49602-78-0(Hazardous Substances Data)

Upstream product

• 67049-13-2 3-(p-tolyl)-4-isothiazolecarboxylic acid 
• 67049-01-8 3-(p-tolyl)isothiazol-4,5-dicarboxylic acid 
• 17452-78-7 5-(p-tolyl)-1,3,4-oxathiazol-2-one 
• 114246-38-7 diethyl 3-(p-tolyl)isothiazole-4,5-dicarboxylate 
• 67048-51-5 ethyl 3-(p-tolyl)isothiazole-4-carboxylate 
• 114246-37-6 ethyl 3-(p-tolyl)isothiazole-5-carboxylate 
• 121-46-0 bicyclo[2.2.1]hepta-2,5-diene 

Relevant articles and documents

Nitrile Sulphides. Part 9. Synthesis of 3-Arylisothiazoles

3-Arylisothiazoles, unsubstituted at both 4- and 5-positions, have been prepared by two methods based on nitrile sulphide chemistry.Nitrile sulphides, generated by thermal decarboxylation of 5-aryl-1,3,4-oxathiazol-2-ones, react with norbornadiene to give 3-arylisothiazoles in one step, the best yields (50-80percent) being achieved under conditions of high dilution.The mechanism is believed to involve 1,3-dipolar cycloaddition to give dihydroisothiazole (6) followed by retro-Diels Alder extrusion of cyclopentadiene.With norbornene itself exo-dihydroisothiazole (8) is formed. 3-Arylisothiazoles also result from flash vacuum pyrolysis of 3-arylisothiazole-4- and 5-carboxylates and 4,5-dicarboxylates which are, respectively, the cycloadducts of nitrile sulphides with ethyl propiolate and diethyl acetylenedicarboxylate.