114246-37-6

Basic information

• Product Name: 5-Isothiazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester
• CAS NO: 114246-37-6
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.318
• Mol File: 114246-37-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-Isothiazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Isothiazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester(114246-37-6)
• EPA Substance Registry System: 5-Isothiazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester(114246-37-6)

Safety Data

• Hazardous Substances Data: 114246-37-6(Hazardous Substances Data)

Upstream product

• 623-47-2 propynoic acid ethyl ester 
• 17452-78-7 5-(p-tolyl)-1,3,4-oxathiazol-2-one 

Downstream Products

• 1338682-63-5 3-(p-tolyl)isothiazole-5-carboxylic acid 
• 49602-78-0 3-(p-tolyl)isothiazole 
• 74-85-1 ethene 
• 104-85-8 para-methylbenzonitrile 

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.