474011-42-2

Basic information

• Product Name: 3,4-diphenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole
• Synonyms: 3,4-diphenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole
• CAS NO: 474011-42-2
• Molecular Weight: 291.376
• Mol File: 474011-42-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3,4-diphenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-diphenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole(474011-42-2)
• EPA Substance Registry System: 3,4-diphenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole(474011-42-2)

Safety Data

• Hazardous Substances Data: 474011-42-2(Hazardous Substances Data)

Upstream product

• 106-96-7 propargyl bromide 
• 6596-82-3 4,5-diphenyl-4H-1,2,4-triazole-3-thiol 
• 6596-82-3 4,5-diphenyl-2,4-dihydro-[1,2,4]triazole-3-thione 
• 13153-01-0 1-benzoyl-4-phenyl-3-thiosemicarbazide 

Downstream Products

• 135276-00-5 1-[4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-piperidine 
• 135276-05-0 (2S,6R)-1-[4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-2,6-dimethyl-piperidine 
• 135276-04-9 1-[4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-2-methyl-piperidine 
• 135276-02-7 Butyl-[4-(4,5-diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-methyl-amine 
• 135276-08-3 1-[4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-4-methyl-piperazine 
• 135276-07-2 1-[4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-azocane 
• 135276-03-8 4-[4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-but-2-ynyl]-morpholine 
• 135276-01-6 3,4-Diphenyl-5-(4-pyrrolidin-1-yl-but-2-ynylsulfanyl)-4H-[1,2,4]triazole 

Relevant articles and documents

Regio- and stereoselective synthesis of [1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium salts via electrophilic heterocyclization of 3-S-propargylthio-4H-1,2,4-triazoles and their antimicrobial activity

A procedure for the preparation of the title salts via regioselective halocyclization of 3-S-propargylthio-4H-1,2,4-triazoles is reported. Stereoselectivity of electrophilic heterocyclization depends on the nature of the electrophilic reagent: bromination is better than iodobromination and iodination. The heterocyclization with tellurium tetrahalogenides leads to the formation of a mixture of geometric isomers of the salts. Their structure was confirmed by 1H NMR, 13C NMR, HMBC and single crystal X-ray diffraction analysis.