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

Base Information

Chemical Name:3-(5-Methoxy-2-methylphenyl)-5-phenyl-1H-1,2,4-triazole
CAS No.:85681-47-6
Molecular Formula:C₁₆H₁₅N₃O
Molecular Weight:265.315
Hs Code.:
ChEMBL ID:CHEMBL19147
DSSTox Substance ID:DTXSID201006275
Wikidata:Q83001953

Synonyms:85681-47-6;3-(5-METHOXY-2-METHYLPHENYL)-5-PHENYL-1H-1,2,4-TRIAZOLE;CHEMBL19147;DTXSID201006275;1H-1,2,4-Triazole, 3-(5-methoxy-2-methylphenyl)-5-phenyl-

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

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

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:265.121512110
Heavy Atom Count:20
Complexity:306

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)OC)C2=NC(=NN2)C3=CC=CC=C3

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

There total 5 articles about 3-(5-Methoxy-2-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:

: 3168-59-0
5-methoxy-o-toluic acid

: 85681-47-6
3-(5-Methoxy-2-methyl-phenyl)-5-phenyl-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

Reference yield:

: 56724-08-4
5-methoxy-2-methyl-benzoyl chloride

: 85681-47-6
3-(5-Methoxy-2-methyl-phenyl)-5-phenyl-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