76595-02-3

Basic information

• Product Name: 5H-1,2,4-Triazepin-5-one, 2,3,4,6-tetrahydro-2-methyl-7-phenyl-3-thioxo-
• CAS NO: 76595-02-3
• Molecular Formula: C11H11N3OS
• Molecular Weight: 233.294
• Mol File: 76595-02-3.mol

Chemical Properties

• CAS DataBase Reference: 5H-1,2,4-Triazepin-5-one, 2,3,4,6-tetrahydro-2-methyl-7-phenyl-3-thioxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 5H-1,2,4-Triazepin-5-one, 2,3,4,6-tetrahydro-2-methyl-7-phenyl-3-thioxo-(76595-02-3)
• EPA Substance Registry System: 5H-1,2,4-Triazepin-5-one, 2,3,4,6-tetrahydro-2-methyl-7-phenyl-3-thioxo-(76595-02-3)

Safety Data

• Hazardous Substances Data: 76595-02-3(Hazardous Substances Data)

Upstream product

• 94-02-0 ethyl 3-oxo-3-phenylpropionate 
• 100706-03-4 3-(2-methyl-thiosemicarbazono)-3-phenyl-propionic acid ethyl ester 

Downstream Products

• 320575-23-3 [RuCl(p-cymene)TAZO] 
• 66040-85-5 1-methyl-5-methylsulfanyl-3-phenyl-1H-pyrazole 
• 170033-45-1 2-methyl-7-phenyl-3,5-dithioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine 
• 39696-48-5 methyl-1 phenyl-3 thioxo-5 triazole-1,2,4 
• 109014-81-5 3-ethylmercapto-2-methyl-7-phenyl-2,6-dihydro-[1,2,4]triazepin-5-one 

Relevant articles and documents

2-Methyl-7-phenyl-3,5-dithioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine

The structure of the compound 2-methyl-7-phenyl-3,4,5,6-tetrahydro-2H-1,2,4-triazepine-3,5-dithione consists of (C11H11N3S2)2 dimers.Asymmetric units are dimerized through two N-H...S hydrogen bonds .The cell contains four dimers linked in chains along the c axis by van der Waals contacts.

Recherches en serie triazepine XVI. Condensation des composes β-dicarbonyles avec les thiosemicarbazides

Condensations of β-dicarbonyl compounds with thiosemicarbazide and 1- and 2-methylthiosemicarbazide give three types of heterocyclic compounds.Depending upon the reagents and experimental conditions, triazepinones, triazepines, 1,2,4-triazolines or pyrazoles are formed.Mechanisms explaining these cyclisations are proposed.