5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole

Base Information

• Chemical Name: 5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
• CAS No.: 59583-11-8
• Molecular Formula: C15H10F3N3
• Molecular Weight: 289.26
• NSC Number: 184827
• DSSTox Substance ID: DTXSID20306990
• Nikkaji Number: J3.363.876K
• Wikidata: Q82054314

Synonyms:59583-11-8;5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole;5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole;NSC184827;DTXSID20306990;KPKFLJOKFSFNGP-UHFFFAOYSA-N;NSC-184827

Chemical Property of 5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole

Chemical Property:

• Vapor Pressure: 4.03E-07mmHg at 25°C
• Boiling Point: 415.7°Cat760mmHg
• Flash Point: 205.2°C
• Density: 1.29g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 289.08268182
• Heavy Atom Count: 21
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=NN2C3=CC=CC(=C3)C(F)(F)F

Technology Process of 5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole

There total 6 articles about 5-Phenyl-1-(3-(trifluoromethyl)phenyl)-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: 96.0%

[(E)-2-bromoethenyl]benzene (588-72-7,1340-14-3) + 3-trifluoromethylphenylazide (22001-17-8) → 1-(3-(trifluoromethyl)phenyl)-5-phenyl-1H-1,2,3-triazole (59583-11-8)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.03.029

Reference yield: 81.0%

iodobenzene (591-50-4) + 1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole (85862-89-1) → 1-(3-(trifluoromethyl)phenyl)-5-phenyl-1H-1,2,3-triazole (59583-11-8)

Guidance literature:

With palladium diacetate; caesium carbonate; tris-(o-tolyl)phosphine; In N,N-dimethyl-formamide; at 20 - 100 ℃; for 20.25h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo5026145

Reference yield: 67.0%

3-trifluoromethylphenylazide (22001-17-8) + 1-Phenyl-2-(trimethylsilyl)acetylene (2170-06-1) → 1-(3-(trifluoromethyl)phenyl)-5-phenyl-1H-1,2,3-triazole (59583-11-8)

Guidance literature:

With potassium tert-butylate; In water; N,N-dimethyl-formamide; at 20 ℃; for 24h; regioselective reaction; air;

DOI:10.1055/s-0031-1291042

upstream raw materials:

3-trifluoromethylphenylazide

phenylacetylene

1-Phenyl-2-(trimethylsilyl)acetylene

[(E)-2-bromoethenyl]benzene

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