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

Base Information

• Chemical Name: 2-(4-Methylphenyl)-4,5-diphenyl-2H-1,2,3-triazole
• CAS No.: 18411-23-9
• Molecular Formula: C21H17N3
• Molecular Weight: 311.386
• DSSTox Substance ID: DTXSID00437291
• Nikkaji Number: J3.381.704E
• Wikidata: Q82252772
• Mol file: 18411-23-9.mol

Synonyms:CTK0A5724;18411-23-9;2-(4-Methylphenyl)-4,5-diphenyl-2H-1,2,3-triazole;DTXSID00437291

Chemical Property of 2-(4-Methylphenyl)-4,5-diphenyl-2H-1,2,3-triazole

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 311.142247555
• Heavy Atom Count: 24
• Complexity: 353

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 2-(4-Methylphenyl)-4,5-diphenyl-2H-1,2,3-triazole

There total 12 articles about 2-(4-Methylphenyl)-4,5-diphenyl-2H-1,2,3-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: 93.0%

4-methylbenzenediazonium tetrafluoroborate (459-44-9) + 2,3-diphenyl-2H-azirine (16483-98-0) → 4,5-diphenyl-2-(p-tolyl)-2H-1,2,3-triazole (18411-23-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; copper(I) bromide; In acetonitrile; at 20 ℃; for 16h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c01433

Reference yield: 71.0%

deoxybenzoin oxime (952-06-7) + p-Tolylisocyanate (622-58-2,374675-64-6) → 4,5-diphenyl-2-(p-tolyl)-2H-1,2,3-triazole (18411-23-9)

Guidance literature:

With [Cu(acetonitrile)4]SbF₆; silver nitrate; In 1,2-dichloro-ethane; at 100 ℃; for 10h; Sealed tube;

DOI:10.1021/acs.orglett.1c02323

Reference yield: 68.0%

benzyl bromide (100-39-0) + N-4-methylphenylhydrazine (539-44-6) → 4,5-diphenyl-2-(p-tolyl)-2H-1,2,3-triazole (18411-23-9)

Guidance literature:

With oxygen; potassium carbonate; copper(I) bromide; In ethanol; at 75 - 110 ℃; for 18h; under 760.051 Torr;

DOI:10.1016/j.tet.2013.08.073

upstream raw materials:

benzyl bromide

N-4-methylphenylhydrazine

4-methylphenylboronic acid

5-phenyl-2H-1,2,3,4-tetrazole

Downstream raw materials:

(4,5-Diphenyl-imidazol-1-yl)-p-tolyl-amine

5,6-Diphenyl-2-p-tolyl-2,3-dihydro-[1,2,4]triazine

benzonitrile

3,3a-Diphenyl-1-p-tolyl-3a,6-dihydro-1H-pyrrolo[1,2-c][1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester