2H-1,2,3-Triazole, 2,4-diphenyl-

Base Information

• Chemical Name: 2H-1,2,3-Triazole, 2,4-diphenyl-
• CAS No.: 20034-95-1
• Molecular Formula: C14H11N3
• Molecular Weight: 221.261
• DSSTox Substance ID: DTXSID20454309
• Nikkaji Number: J2.387.754F
• Wikidata: Q82275757
• ChEMBL ID: CHEMBL3612327
• Mol file: 20034-95-1.mol

Synonyms:2H-1,2,3-Triazole, 2,4-diphenyl-;2,5-diphenyltriazole;20034-95-1;CHEMBL3612327;SCHEMBL17279823;DTXSID20454309;2,4-Diphenyl-2H-1,2,3-triazole

Chemical Property of 2H-1,2,3-Triazole, 2,4-diphenyl-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.095297364
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(N=C2)C3=CC=CC=C3

Technology Process of 2H-1,2,3-Triazole, 2,4-diphenyl-

There total 24 articles about 2H-1,2,3-Triazole, 2,4-diphenyl- 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: 100.0%

1-Cyclohexyl-2,4-diphenyl-2H-[1,2,3]triazol-1-ium; perchlorate → 2,4-diphenyl-2H-[1,2,3]triazole (20034-95-1)

Guidance literature:

In ethanol; water; Heating;

DOI:10.3987/R-1987-07-1751

Reference yield: 94.0%

4-phenyl-2H-[1,2,3]triazole (112614-96-7) + phenyl(2,4,6-trimethoxyphenyl)iodonium trifluoroacetate → 2,4-diphenyl-2H-[1,2,3]triazole (20034-95-1)

Guidance literature:

With sodium carbonate; In toluene; at 100 ℃; for 24h; regioselective reaction; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.9b02140

Reference yield: 90.0%

bromobenzene (108-86-1,52753-63-6) + 4-phenyl-2H-[1,2,3]triazole (112614-96-7) → 2,4-diphenyl-2H-[1,2,3]triazole (20034-95-1)

Guidance literature:

With 2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In toluene; at 120 ℃; for 5h; regioselective reaction; Inert atmosphere;

DOI:10.1002/anie.201103882

upstream raw materials:

sodium acetate

1-Cyclohexyl-2,4-diphenyl-2H-[1,2,3]triazol-1-ium; chloride

phenylhydrazine

α-bromoacetophenone oxime