2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-

Base Information

• Chemical Name: 2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-
• CAS No.: 101648-17-3
• Molecular Formula: C20H14N4O2
• Molecular Weight: 342.357
• DSSTox Substance ID: DTXSID80437315
• Wikidata: Q82252798
• Mol file: 101648-17-3.mol

Synonyms:2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-;101648-17-3;DTXSID80437315

Chemical Property of 2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 342.11167570
• Heavy Atom Count: 26
• Complexity: 437

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=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-

There total 12 articles about 2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-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: 95.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) + 4,5-diphenyl-2H-1,2,3-triazole (120106-62-9) → 2-(4-nitrophenyl)-4,5-diphenyl-2H-1,2,3-triazole (101648-17-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 - 120 ℃; for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.0c01433

Reference yield: 57.0%

benzil mono-oxime mono-(p-nitrophenyl)hydrazone (132544-96-8) → 2-(4-nitrophenyl)-4,5-diphenyl-2H-1,2,3-triazole (101648-17-3)

Guidance literature:

In acetic anhydride; for 0.666667h; Heating;

DOI:10.1002/jps.2600810615

Reference yield: 38.0%

1-Methyl-2-(4-nitro-phenyl)-4,5-diphenyl-2H-[1,2,3]triazol-1-ium; perchlorate → 2-(4-nitrophenyl)-4,5-diphenyl-2H-1,2,3-triazole (101648-17-3) + 2-(4-Nitro-phenyl)-5,6-diphenyl-2,3-dihydro-[1,2,4]triazine (130720-52-4) + 1-(p-nitroanilino)-4,5-diphenylimidazole (130720-58-0)

Guidance literature:

With potassium cyanide; In toluene; at 45 ℃; for 24h;

DOI:10.1039/a701233k

upstream raw materials:

benzil bis-(p-nitrophenyl)hydrazone

benzil mono-oxime mono-(p-nitrophenyl)hydrazone

benzil mono(p-nitrophenylhydrazone)

benzil

Downstream raw materials:

2-(p-aminophenyl)-4,5-diphenyl-2H-1,2,3-triazole

2-(4-Nitro-phenyl)-5,6-diphenyl-2,3-dihydro-[1,2,4]triazine

1-(p-nitroanilino)-4,5-diphenylimidazole