1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE

Base Information

• Chemical Name: 1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE
• CAS No.: 25371-97-5
• Molecular Formula: C₁₀H₇F₃N₂
• Molecular Weight: 212.174
• Hs Code.: 2933290090
• Mol file: 25371-97-5.mol

Synonyms:Imidazole,1-(a,a,a-trifluoro-m-tolyl)- (8CI);1-(3-Trifluoromethylphenyl)-1H-imidazole;

Chemical Property of 1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE

Chemical Property:

• Vapor Pressure: 0.00918mmHg at 25°C
• Melting Point: 71oC
• Refractive Index: 1.522
• Boiling Point: 282.7 °C at 760 mmHg
• PKA: 5.22±0.10(Predicted)
• Flash Point: 124.8 °C
• PSA: 17.82000
• Density: 1.27 g/cm³
• LogP: 2.89110

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Trifluoromethylphenyl)imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE

There total 2 articles about 1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE 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%

1H-imidazole (288-32-4) + m-trifluoromethylphenyl iodide (401-81-0) → 1-(3-(trifluoromethyl)phenyl)-1H-imidazole (25371-97-5)

Guidance literature:

With aluminum oxide; potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; In xylene; at 130 - 140 ℃; for 11h;

DOI:10.1055/s-2006-947344

Reference yield: 93.0%

1H-imidazole (288-32-4) + 3-bromo-1-trifluoromethylbenzene (401-78-5) → 1-(3-(trifluoromethyl)phenyl)-1H-imidazole (25371-97-5)

Guidance literature:

With copper(l) iodide; potassium carbonate; heptakis(6-amino-6-deoxy)-β-cyclodextrin; In dimethyl sulfoxide; at 110 ℃; for 18h; Sealed tube;

DOI:10.1021/jo801811w

Reference yield: 81.0%

methyl trifluoromethanesulfonate (333-27-7) + 1-(3-(trifluoromethyl)phenyl)-1H-imidazole (25371-97-5) → C11H10F3N2(1+)*CF3O3S(1-)

Guidance literature:

In dichloromethane; at 20 ℃; for 3h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d1dt02677a

upstream raw materials:

1H-imidazole

m-trifluoromethylphenyl iodide

3-bromo-1-trifluoromethylbenzene

Refernces

• 1、 Li, Tian-Yi,Liang, Xiao,Zhou, Liang,Wu, Chen,Zhang, Song,Liu, Xuan,Lu, Guang-Zhao,Xue, Li-Sha,Zheng, You-Xuan,Zuo, Jing-Lin. "N -heterocyclic carbenes: Versatile second cyclometalated ligands for neutral iridium(III) heteroleptic complexes". . p. 161 - 173. Retrieved 2015/03/03.
• 2、 Huang, Yi-Zheng,Gao, Jin,Ma, Hong,Miao, Hong,Xu, Jie. "Ninhydrin: an efficient ligand for the Cu-catalyzed N-arylation of nitrogen-containing heterocycles with aryl halides". . p. 948 - 951. Retrieved 2008/09/17.