3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole

Base Information

Chemical Name:3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole
CAS No.:85681-44-3
Molecular Formula:C15H13N3
Molecular Weight:235.2838
Hs Code.:
DSSTox Substance ID:DTXSID801006273
Wikidata:Q83001951
ChEMBL ID:CHEMBL17944

Synonyms:3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole;85681-44-3;5-Phenyl-3-(m-tolyl)-1H-1,2,4-triazole;1H-1,2,4-Triazole, 3-(3-methylphenyl)-5-phenyl-;CHEMBL17944;SCHEMBL10891948;DTXSID801006273;AKOS010598716

Suppliers and Price of 3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:458.1°Cat760mmHg
Flash Point:213.3°C
Density:1.17g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:235.110947427
Heavy Atom Count:18
Complexity:263

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)C2=NNC(=N2)C3=CC=CC=C3

Technology Process of 3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole

There total 9 articles about 3-(3-Methylphenyl)-5-phenyl-1H-1,2,4-triazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

: C₉H₁₂N₄

: 100-46-9
benzylamine

: 85681-44-3
5-phenyl-3-(m-tolyl)-1H-1,2,4-triazole

: 463-52-5
formamidine

Guidance literature:: With tert.-butylhydroperoxide; iodine; In N,N-dimethyl-formamide; at 80 ℃; for 12h;
DOI:10.1021/acs.joc.1c00704

Reference yield:

: 1711-06-4
3-Methylbenzoyl chloride

: 85681-44-3
5-phenyl-3-(m-tolyl)-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 4 steps

1: Et₃N / CH₂Cl₂ / 2 h

2: 37percent aq. HCl / 0.5 h

3: 1.) MeCN, reflux, 1 h, 2.) 110 deg C, 2 h

4: 0.17 h / 200 °C

With hydrogenchloride; triethylamine; In dichloromethane;
DOI:10.1021/jm00362a018

Reference yield:

: 99-04-7
m-Toluic acid

: 85681-44-3
5-phenyl-3-(m-tolyl)-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 5 steps

1: SOCl₂ / 2 h / Heating

2: Et₃N / CH₂Cl₂ / 2 h

3: 37percent aq. HCl / 0.5 h

4: 1.) MeCN, reflux, 1 h, 2.) 110 deg C, 2 h

5: 0.17 h / 200 °C

With hydrogenchloride; thionyl chloride; triethylamine; In dichloromethane;
DOI:10.1021/jm00362a018