1-Methyl-3,5-diphenyl-1H-1,2,4-triazole

Base Information

• Chemical Name: 1-Methyl-3,5-diphenyl-1H-1,2,4-triazole
• CAS No.: 64017-21-6
• Molecular Formula: C15H13N3
• Molecular Weight: 235.288
• ChEMBL ID: CHEMBL1357461
• DSSTox Substance ID: DTXSID70404556
• Nikkaji Number: J787.540A
• Mol file: 64017-21-6.mol

Synonyms:1-Methyl-3,5-diphenyl-1H-1,2,4-triazole;64017-21-6;CHEMBL1357461;1-methyl-3,5-diphenyl-1,2,4-triazole;starbld0012491;1H-1,2,4-Triazole, 1-methyl-3,5-diphenyl-;MLS001241005;SCHEMBL822566;DTXSID70404556;HMS2208C24;HMS3349A09;BDBM50518738;SMR000841222

Chemical Property of 1-Methyl-3,5-diphenyl-1H-1,2,4-triazole

Chemical Property:

• Melting Point: 84 °C
• Boiling Point: 429.8±28.0 °C(Predicted)
• PSA: 30.71000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 3.14910
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 235.110947427
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1-Methyl-3,5-diphenyl-1H-1,2,4-triazole

There total 47 articles about 1-Methyl-3,5-diphenyl-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: 92.0%

3,5-diphenyl-4-methyl-1,2,4-4H-triazole (32272-86-9) → 3,5-diphenyl-1-methyl-1H-1,2,4-triazole (64017-21-6)

Guidance literature:

In neat (no solvent); at 350 ℃; for 0.166667h;

Reference yield: 90.0%

3,5-diphenyl-1-methyl-1H-1,2,4-triazole 2-oxide → 3,5-diphenyl-1-methyl-1H-1,2,4-triazole (64017-21-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; Ambient temperature;

Reference yield: 89.0%

C15H14N3(1+)*Cl6Sb(1-) → 3,5-diphenyl-1-methyl-1H-1,2,4-triazole (64017-21-6)

Guidance literature:

With sodium carbonate; In dichloromethane; water; at 23 ℃; for 3h;

DOI:10.1055/s-1989-27430

upstream raw materials:

2-methyl-5-phenyl-2H-tetrazole

benzonitrile

3,5-diphenyl-1,2,4-triazole

methyl iodide