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

Base Information

Chemical Name:5-(4-chlorophenyl)-3-methyl-1-phenyl-1H-1,2,4-triazole
CAS No.:89804-57-9
Molecular Formula:C15H12ClN3
Molecular Weight:269.733
Hs Code.:
DSSTox Substance ID:DTXSID50523931
Nikkaji Number:J3.044.434E
Wikidata:Q82390380

Synonyms:5-(4-chlorophenyl)-3-methyl-1-phenyl-1H-1,2,4-triazole;89804-57-9;DTXSID50523931;5-(4-chlorophenyl)-3-methyl-1-phenyl-1H-[1,2,4]triazole

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

Supply Marketing:

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

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

Chemical Property:

PSA：30.71000
LogP:3.89610
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:269.0719751
Heavy Atom Count:19
Complexity:285

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

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

There total 3 articles about 5-(4-chlorophenyl)-3-methyl-1-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: 80.0%

: 2905-48-8
N-thioacetyl-4-chlorobenzamide

: 59-88-1
phenylhydrazine hydrochloride

: 89804-57-9
5-(4-chlorophenyl)-3-methyl-1-phenyl-1H-1,2,4-triazole

Guidance literature:: With sodium acetate; In 1,4-dioxane; acetic acid; at 90 ℃;

Reference yield: 71.0%

: 30334-17-9
N-acetyl-4-chlorobenzamide

: 59-88-1
phenylhydrazine hydrochloride

: 89804-57-9
5-(4-chlorophenyl)-3-methyl-1-phenyl-1H-1,2,4-triazole

Guidance literature:: With pyridine; at 200 ℃; for 0.0166667h; regioselective reaction; Microwave irradiation;
DOI:10.1016/j.tet.2012.01.003

Reference yield:

: 619-56-7
4-chlorobenzamide

: 89804-57-9
5-(4-chlorophenyl)-3-methyl-1-phenyl-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / 0.05 h / 100 °C / Microwave irradiation

2: pyridine / 0.02 h / 200 °C / Microwave irradiation

With pyridine; sulfuric acid;
DOI:10.1016/j.tet.2012.01.003