1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)-

Base Information

Chemical Name:1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)-
CAS No.:85681-51-2
Molecular Formula:C₂₂H₁₉N₃
Molecular Weight:325.413
Hs Code.:
ChEMBL ID:CHEMBL19034
DSSTox Substance ID:DTXSID601006277
Wikidata:Q83001956

Synonyms:85681-51-2;1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)-;CHEMBL19034;DTXSID601006277;5-([1,1'-Biphenyl]-3-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole

Suppliers and Price of 1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)-

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 2 raw suppliers

Chemical Property of 1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)-

Chemical Property:

XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:325.157897619
Heavy Atom Count:25
Complexity:406

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC=CC=C1C2=NC(=NN2)C3=CC=CC(=C3)C4=CC=CC=C4

Technology Process of 1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)-

There total 4 articles about 1H-1,2,4-Triazole, 3-(1,1'-biphenyl)-3-yl-5-(2-ethylphenyl)- 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:

: 612-19-1
2-ethylbenzoic acid

: 85681-51-2
5-Biphenyl-3-yl-3-(2-ethyl-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:

: 2-Ethyl-benzoic acid [1-amino-1-biphenyl-3-yl-meth-(Z)-ylidene]-hydrazide

: 85681-51-2
5-Biphenyl-3-yl-3-(2-ethyl-phenyl)-1H-[1,2,4]triazole

Guidance literature:: at 200 ℃; for 0.166667h; Yield given;
DOI:10.1021/jm00362a018

Reference yield:

: N'-(2-Ethyl-benzoyl)-hydrazinecarboxylic acid tert-butyl ester

: 85681-51-2
5-Biphenyl-3-yl-3-(2-ethyl-phenyl)-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 37percent aq. HCl / 0.5 h

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

3: 0.17 h / 200 °C

With hydrogenchloride;
DOI:10.1021/jm00362a018