57626-52-5

Basic information

• Product Name: 2,4,5-trimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
• Synonyms: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4,5-trimethyl-
• CAS NO: 57626-52-5
• Molecular Formula: C₅H₉N₃O
• Molecular Weight: 127.1445
• Mol File: 57626-52-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 144.2°C at 760 mmHg
• Flash Point: 41°C
• Density: 1.2g/cm³
• Vapor Pressure: 5.16mmHg at 25°C
• Refractive Index: 1.565
• PKA: 5.61±0.20(Predicted)
• CAS DataBase Reference: 2,4,5-trimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-trimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one(57626-52-5)
• EPA Substance Registry System: 2,4,5-trimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one(57626-52-5)

Safety Data

• Hazardous Substances Data: 57626-52-5(Hazardous Substances Data)

Upstream product

• 15179-65-4 1,3-dichloro-5-methyl-1,2,4-triazole 
• 74-88-4 methyl iodide 
• 133157-98-9 1-Chloro-3-nitro-5-methyl-1,2,4-triazole 

Relevant articles and documents

Reactions of 3-nitro-1,2,4-triazole derivatives with alkylating agents. 5. Selective synthesis of 1,4-dialkyl-and 1,4,5-trialkyl-3-nitro-1,2,4-triazolium salts from 1-alkyl-and 4,5-dialkyl-3-nitro-1,2,4-triazoles and dialkyl sulfates

Interaction of N(1)-alkyl-substituted 3-nitro-5-R-1,2,4- triazoles with dialkyl sulphates proceeds selectively and results in the respective salts of 1,4-dialkyl-, 1,4,5-trialkyl-3-nitro-1,2,4-triazoliums. The reaction of N(4)-alkyl-substituted 3-nitro-5-R-1,2,4-triazoles yields the mixtures of the salts of 1,4-dialkyl-, 1,4,5-trialkyl-3-nitro-1,2,4- triazoliums and 1,4-dialkyl-, 1,3,4-trialkyl-1,2,4-triazol-5-ones with predominance of quaternary salts.

OXIDATIVE ALKYLATION OF AZOLES. I. REACTION OF N-CHLORO-3-NITRO-TRIAZOLES WITH METHYL IODIDE

The reaction of methyl iodide with N-chloro-3-nitro-, and N-chloro-5-methyl-3-nitro-1,2,4-triazoles leads to the release of iodine and the formation of a mixture of compounds containing 3-nitro-1,2,4-triazoles unsubstituted at the nitrogen, the N-mono- and N,N-dimethylated derivatives (triazolium salts), and the products from their further transformations (1,4-dimethyl-5-triazolones).