1,4,5-Triphenyl-1H-1,2,3-triazole

Base Information

• Chemical Name: 1,4,5-Triphenyl-1H-1,2,3-triazole
• CAS No.: 33471-63-5
• Molecular Formula: C20H15N3
• Molecular Weight: 297.359
• Hs Code.: 2933990090
• NSC Number: 127054
• DSSTox Substance ID: DTXSID20298947
• Nikkaji Number: J108.318J
• Wikidata: Q82041073
• Mol file: 33471-63-5.mol

Synonyms:1,4,5-Triphenyl-1H-1,2,3-triazole;33471-63-5;triphenyltriazole;NSC127054;1H-1,2,3-Triazole, 1,4,5-triphenyl-;SCHEMBL44422;DTXSID20298947;NNPJRRDTJGOGFF-UHFFFAOYSA-N;NSC-127054;1H-1,3-Triazole, 1,4,5-triphenyl-;1,4,5-Triphenyl-1H-1,2,3-triazole #

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

Chemical Property:

• Vapor Pressure: 5.04E-09mmHg at 25°C
• Boiling Point: 470.5°Cat760mmHg
• Flash Point: 238.3°C
• PSA: 30.71000
• Density: 1.14g/cm³
• LogP: 4.60130
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 297.126597491
• Heavy Atom Count: 23
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

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

There total 8 articles about 1,4,5-Triphenyl-1H-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: 95.0%

phenyl benzyl ketone (451-40-1) + Phenyl azide (622-37-7) → 1,4,5-triphenyl-1H-1,2,3-triazole (33471-63-5)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; In water; at 100 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.151662

Reference yield: 85.0%

diphenyl acetylenedicarboxylate (53683-89-9) + Phenyl azide (622-37-7) → 1,4,5-triphenyl-1H-1,2,3-triazole (33471-63-5)

Guidance literature:

With C₃₉H₄₄ClCuN₂⁽¹⁺⁾; In neat (no solvent); for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300343

Reference yield: 72.0%

diphenyl acetylene (501-65-5) + Phenyl azide (622-37-7) → 1,4,5-triphenyl-1H-1,2,3-triazole (33471-63-5)

Guidance literature:

In water; at 120 ℃; for 24h;

DOI:10.1039/b307084k

upstream raw materials:

diphenyl acetylene

Phenyl azide

((Z)-(1-nitroethene-1,2-diyl)dibenzene)

N-benzylidenebutan-1-amine

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