1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-

Base Information

• Chemical Name: 1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-
• CAS No.: 33471-66-8
• Molecular Formula: C21H17N3
• Molecular Weight: 311.386
• Hs Code.: 2933990090
• NSC Number: 137957
• DSSTox Substance ID: DTXSID20300635
• Nikkaji Number: J143.028I
• Wikidata: Q82043863
• Mol file: 33471-66-8.mol

Synonyms:1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-;33471-66-8;1-Benzyl-4,5-diphenyl-1H-1,2,3-triazole;NSC137957;1H-1,2,3-Triazole, 4,5-diphenyl-1-(phenylmethyl)-;SCHEMBL2898117;DTXSID20300635;NSC-137957;1H-1,3-Triazole, 1-benzyl-4,5-diphenyl-;1-Benzyl-4,5-diphenyl-1H-1,2,3-triazole #;1H-1,3-Triazole, 4,5-diphenyl-1-(phenylmethyl)-

Chemical Property of 1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-

Chemical Property:

• Vapor Pressure: 7.5E-10mmHg at 25°C
• Boiling Point: 492.7°C at 760 mmHg
• Flash Point: 251.8°C
• PSA: 30.71000
• Density: 1.12g/cm³
• LogP: 4.66040
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 311.142247555
• Heavy Atom Count: 24
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-

There total 36 articles about 1H-1,2,3-Triazole, 1-benzyl-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: 98.0%

1-benzyl-4-phenyl-5-iodo-1,2,3-triazole (860002-66-0) + phenylboronic acid (98-80-6) → 1-benzyl-4,5-diphenyl-1H-1,2,3-triazole (33471-66-8)

Guidance literature:

With potassium hydroxide; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 70 ℃;

DOI:10.1055/s-2005-872119

Reference yield: 92.0%

iodobenzene (591-50-4) + 1-benzyl-4-phenyl-1H-[1,2,3]triazole (108717-96-0) → 1-benzyl-4,5-diphenyl-1H-1,2,3-triazole (33471-66-8)

Guidance literature:

With palladium diacetate; potassium carbonate; 1,3-bis(mesityl)imidazolium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1002/cjoc.201100275

Reference yield: 90.0%

iodobenzene (591-50-4) + 1-Benzyl-4-phenyl-5-(tributylstannyl)-1H-1,2,3-triazole → 1-benzyl-4,5-diphenyl-1H-1,2,3-triazole (33471-66-8)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; potassium carbonate; copper(l) chloride; XPhos; In toluene; at 80 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00701

upstream raw materials:

diphenyl acetylene

benzyl azide

1-benzyl-4-phenyl-5-iodo-1,2,3-triazole

phenylboronic acid