1-(4-Trifluoromethylphenyl)imidazole

Base Information

• Chemical Name: 1-(4-Trifluoromethylphenyl)imidazole
• CAS No.: 25371-98-6
• Molecular Formula: C10H7F3N2
• Molecular Weight: 212.174
• Hs Code.: 2933299090
• European Community (EC) Number: 671-616-0
• DSSTox Substance ID: DTXSID60180019
• Nikkaji Number: J963.057K
• Wikidata: Q83050522
• Mol file: 25371-98-6.mol

Synonyms:1-(4-Trifluoromethylphenyl)imidazole;25371-98-6;1-[4-(trifluoromethyl)phenyl]imidazole;1-(4-(trifluoromethyl)phenyl)-1H-imidazole;1-[4-(Trifluoromethyl)phenyl]-1H-imidazole;MFCD00060493;Maybridge3_002988;1H-Imidazole,1-[4-(trifluoromethyl)phenyl]-;SCHEMBL709619;DTXSID60180019;HMS1439H18;CCG-53964;AKOS015853038;FS-5435;IDI1_014375;1-(4-trifluoromethylphenyl)-1h-imidazole;CS-0323857;FT-0607152;1-[4-(Trifluoromethyl)phenyl]-1H-imidazole #;A817827;A877607;J-015965;SR-01000643087-1

Chemical Property of 1-(4-Trifluoromethylphenyl)imidazole

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.00918mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: 1.522
• Boiling Point: 274.2 °C at 760 mmHg
• PKA: 4.99±0.10(Predicted)
• Flash Point: 119.6 °C
• PSA: 17.82000
• Density: 1.27 g/cm³
• LogP: 2.89110
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.05613272
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)N2C=CN=C2

Technology Process of 1-(4-Trifluoromethylphenyl)imidazole

There total 9 articles about 1-(4-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: 99.0%

1H-imidazole (288-32-4) + 4-Iodobenzotrifluoride (455-13-0) → N-(4-trifluoromethylphenyl)imidazole (25371-98-6)

Guidance literature:

With C₁₂H₁₈ClCuN₄O⁽¹⁺⁾*ClO₄^(1-); caesium carbonate; In acetonitrile; at 80 ℃; for 24h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.poly.2019.03.001

Reference yield: 96.0%

1H-imidazole (288-32-4) + 4-trifluoromethylphenylboronic acid (128796-39-4) → N-(4-trifluoromethylphenyl)imidazole (25371-98-6)

Guidance literature:

With silica-supported ionic liquid; In methanol; at 50 ℃; for 3h;

DOI:10.1080/00397911.2011.563024

Reference yield: 95.0%

1H-imidazole (288-32-4) + p-trifluoromethylphenyl bromide (402-43-7) → N-(4-trifluoromethylphenyl)imidazole (25371-98-6)

Guidance literature:

With copper(l) iodide; potassium carbonate; at 110 ℃; for 18h; chemoselective reaction; Inert atmosphere;

DOI:10.1080/00397911.2010.523149

upstream raw materials:

1H-imidazole

4-trifluoromethylphenylboronic acid

4-chlorobenzotrifluoride

4-Iodobenzotrifluoride

Downstream raw materials:

2-[(5-chloro-2-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H-imidazole

[(1-(prop-2-ynyl)-3-(4-trifluoromethylphenyl))imidazolium] bromide

[1-(2-pyridyl)methylene-3-(4-trifluoromethylphenyl)]imidazolium bromide

C₁₁H₁₀F₃N₂⁽¹⁺⁾*I^(1-)

Refernces

• 1、 Ding, Zhiqiang,Nie, Nan,Chen, Tian,Meng, Lingxin,Wang, Gongshu,Chen, Zhangpei,Hu, Jianshe. "L-Proline N-oxide dihydrazides as an efficient ligand for cross-coupling reactions of aryl iodides and bromides with amines and phenols". supporting information. . Retrieved 2020/12/21.
• 2、 Dindarloo Inaloo, Iman,Majnooni, Sahar,Eslahi, Hassan,Esmaeilpour, Mohsen. "N -Arylation of (hetero)arylamines using aryl sulfamates and carbamates via C-O bond activation enabled by a reusable and durable nickel(0) catalyst". . p. 13266 - 13278. Retrieved 2020/10/07.