85681-46-5

Basic information

• Product Name: 3-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
• Synonyms: 1H-1,2,4-Triazole, 5-(3-methoxyphenyl)-3-(4-methylphenyl)-
• CAS NO: 85681-46-5
• Molecular Formula: C₁₆H₁₅N₃O
• Molecular Weight: 265.3098
• Mol File: 85681-46-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 155-157 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 484.9°C at 760 mmHg
• Flash Point: 172.7°C
• Density: 1.178g/cm³
• Vapor Pressure: 1.48E-09mmHg at 25°C
• Refractive Index: 1.605
• PKA: 9.27±0.40(Predicted)
• CAS DataBase Reference: 3-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole(85681-46-5)
• EPA Substance Registry System: 3-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole(85681-46-5)

Safety Data

• Hazardous Substances Data: 85681-46-5(Hazardous Substances Data)

Upstream product

• 3619-22-5 p-toluic hydrazide 
• 820209-69-6 N-(4-methyl)benzoyl-N'-tertbutoxycarbonylhydrazine 
• 874-60-2 4-methyl-benzoyl chloride 
• 99-94-5 p-Toluic acid 

Relevant articles and documents

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.