60510-57-8

Basic information

• Product Name: 5-Phenyl-3-(o-tolyl)-1H-1,2,4-triazole
• Synonyms: 5-Phenyl-3-(o-tolyl)-1H-1,2,4-triazole
• CAS NO: 60510-57-8
• Molecular Formula: C₁₅H₁₃N₃
• Molecular Weight: 235.31
• Mol File: 60510-57-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 367.68°C (rough estimate)
• Flash Point: 210.2°C
• Appearance: /
• Density: 1.1614 (rough estimate)
• Vapor Pressure: 2.22E-08mmHg at 25°C
• Refractive Index: 1.5610 (estimate)
• CAS DataBase Reference: 5-Phenyl-3-(o-tolyl)-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Phenyl-3-(o-tolyl)-1H-1,2,4-triazole(60510-57-8)
• EPA Substance Registry System: 5-Phenyl-3-(o-tolyl)-1H-1,2,4-triazole(60510-57-8)

Safety Data

• Hazardous Substances Data: 60510-57-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H13N3/c1-11-7-5-6-10-13(11)15-16-14(17-18-15)12-8-3-2-4-9-12/h2-10H,1H3,(H,16,17,18)

Upstream product

• 933-88-0 ortho-toluoyl chloride 
• 7658-80-2 2-methylbenzohydrazide 
• 118-90-1 ortho-methylbenzoic acid 
• 65349-16-8 2-Methyl-benzoic acid [1-amino-1-phenyl-meth-(Z)-ylidene]-hydrazide 
• 3357-42-4 3-phenyl-1,2,4-triazole 
• 529-20-4 2-methylphenyl aldehyde 
• 80670-36-6 3-diazo-5-phenyl-3H-1,2,4-triazole 
• 108-88-3 toluene 

Relevant articles and documents

TBHP/TBAI–Mediated simple and efficient synthesis of 3,5-disubstituted and 1,3,5-trisubstituted 1H-1,2,4-triazoles via oxidative decarbonylation of aromatic aldehydes and testing for antibacterial activities

The author has developed a simple, efficient and eco–friendly convenient general method for synthesis of 3,5–disubstituted–1,2,4–triazoles and 1,3,5–trisubstituted–1,2,4–triazoles from 3–monosubstituted–1,2,4–triazoles and 1,3–disubstituted–1,2,4–triazoles respectively using tetrabutylammonium iodide (TBAI) as catalyst and TBHP as oxidant under mid reaction conditions. This method provides structurally diverse 3,5–disubstituted 1,2,4–triazoes and 1,3,5––trisubstituted–1,2,4–triazoles in good to excellent yields. 3,5–Disubstituted 1,2,4–triazoes and 1,3,5––trisubstituted–1,2,4–triazoles derivatives are biologically and pharmaceutically active molecules, and therefore, this protocol could be of wide applications in medicinal chemistry and organic chemistry.

A New Class of Nonhormonal Pregnancy-Terminating Agents. Synthesis and Contragestational Activity of 3,5-Diaryl-s-triazoles

A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents.The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency.Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained.One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species.A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.