2-phenyl-2H-1,2,3-triazole

Base Information

• Chemical Name: 2-phenyl-2H-1,2,3-triazole
• CAS No.: 51039-49-7
• Molecular Formula: C8H7N3
• Molecular Weight: 145.164
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20408120
• Nikkaji Number: J361.114K
• Wikidata: Q72499077
• Mol file: 51039-49-7.mol

Synonyms:2-phenyl-2H-1,2,3-triazole;51039-49-7;2-phenyltriazole;2-Phenyl-1,2,3-triazole;SCHEMBL4451027;DTXSID20408120;JYBWAYHAOLQZJX-UHFFFAOYSA-N;2-phenyl-2H-[1,2,3]triazole;BCA03949;2H-1,2,3-Triazole, 2-phenyl-;AKOS015918475;DS-6765;AC-25751;CS-0365068;FT-0740817;F17311;A828411

Chemical Property of 2-phenyl-2H-1,2,3-triazole

Chemical Property:

• Vapor Pressure: 0.00385mmHg at 25°C
• Melting Point: 162℃
• Refractive Index: 1.632
• Boiling Point: 280.2 °C at 760 mmHg
• Flash Point: 123.2 °C
• PSA: 30.71000
• Density: 1.16 g/cm³
• LogP: 1.26730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.063997236
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Phenyl-2H-1,2,3-triazole 95-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-phenyl-2H-1,2,3-triazole

There total 27 articles about 2-phenyl-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: 90.0%

glyoxal bis(phenylhydrazone) (1534-21-0,29841-71-2) → 2-phenyl-2H-[1,2,3]triazole (51039-49-7) + aniline (62-53-3)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); In toluene; at 110 ℃; for 5h; Inert atmosphere;

DOI:10.1007/s10593-010-0473-6

Reference yield: 90.0%

bromobenzene (108-86-1,52753-63-6) + 1 ,2,3-Triazole (288-36-8,288-35-7) → 2-phenyl-2H-[1,2,3]triazole (51039-49-7)

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

Reference yield: 90.0%

1,1,1-trimethyl-2-(2-(2-phenylhydrazono)ethylidene)hydrazin-1-ium iodide → 2-phenyl-2H-[1,2,3]triazole (51039-49-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; Temperature; Solvent; Reagent/catalyst; regioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201901519

upstream raw materials:

1,2-bis-phenylazo-ethene

methylthiol

2-phenyl-2H-<1,2,3>triazolo<4,5-e><1,2,3,4>tetrazine

glyoxal bis(phenylhydrazone)

Downstream raw materials:

2-(4-nitrophenyl)-2H-1,2,3-triazole

2-(2-nitro-phenyl)-2H-[1,2,3]triazole

4-(2H-[1,2,3]triazol-2-yl)benzenesulfonyl chloride

2-(4-bromophenyl)-2H-1,2,3-triazole