6071-12-1

Basic information

• Product Name: 4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
• CAS NO: 6071-12-1
• Molecular Formula: C₁₁H₁₃N₃O
• Molecular Weight: 203.2404
• Mol File: 6071-12-1.mol
• Article Data: 1

Chemical Properties

• Density: 1.21g/cm³
• Refractive Index: 1.615
• CAS DataBase Reference: 4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one(6071-12-1)
• EPA Substance Registry System: 4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one(6071-12-1)

Safety Data

• Hazardous Substances Data: 6071-12-1(Hazardous Substances Data)

Usage

Chemical structure

Contains a triazole ring and a ketone group

Pharmaceutical applications

Studied for anti-inflammatory and analgesic properties, potential antifungal or antimicrobial agent

Potential use

Building block for synthesis of other biologically active compounds
Valuable compound for research and potential drug development

Upstream product

• 41793-45-7 8-trimethylsilanyl-octa-2,3-diene-5,7-diyn-1-ol 

Downstream Products

• 6071-20-1 3,5,7-octatriyn-1-ol 

Relevant articles and documents

Palladium(0)-catalysed conversion of α-acetylenic epoxides into α-allenic alcohols. Novel route to (+/-)-2,3-octadiene-5,7-diyn-1-ol, a metabolite from fungus Cortinellus berkeleyanus

α-Acetylenic epoxides, (1), have been converted into α-allenic alcohols, RR'C=C=CR"-CH2OH (3), by means of a palladium(0)-promoted reaction with R-ZnCl (2; R: Me3Si(CC)n- (n = 1 or 2), H2C=CH- or t-BuCH=C=CH-).Using this method, an improved synthesis of (+/-)-2,3-octadiene-5,7-diyn-1-ol, a metabolite from fungus Cortinellus berkeleyanus, has been developed.The method is not suited to the preparation of α-allenic alcohols from 1 and, for example, BuZnCl because of substantial formation of reduction products, HCR'=C=CR"-CH2OH.For the preparation of 3 from R = Me3SiCC other acetylides Me3SiCC-M were also studied, viz.M = Li, MgCl, Cu or Cu1/2Li1/2 but only with the cuprate could a reasonable conversion of 1 be realized.