2-(P-Tolyl)-4-(trifluoromethyl)-1H-imidazole

Base Information

• Chemical Name: 2-(P-Tolyl)-4-(trifluoromethyl)-1H-imidazole
• CAS No.: 33469-18-0
• Molecular Formula: C11H9F3N2
• Molecular Weight: 226.201
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00441439
• Nikkaji Number: J1.886.442H
• Wikidata: Q72495468
• Mol file: 33469-18-0.mol

Synonyms:33469-18-0;2-(P-TOLYL)-4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE;2-(4-Methylphenyl)-4-(trifluoromethyl)-1H-imidazole;2-(4-methylphenyl)-5-(trifluoromethyl)-1H-Imidazole;2-p-tolyl-5-(trifluoromethyl)-1H-imidazole;1H-Imidazole, 2-(4-methylphenyl)-5-(trifluoromethyl)-;SCHEMBL17868402;DTXSID00441439;MFCD10000866;AKOS022175200;FT-0698267;A18660;A1-35048

Chemical Property of 2-(P-Tolyl)-4-(trifluoromethyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 221-222 °C
• Refractive Index: 1.516
• Boiling Point: 345.391 °C at 760 mmHg
• PKA: 10.79±0.10(Predicted)
• Flash Point: 162.687 °C
• PSA: 28.68000
• Density: 1.284 g/cm³
• LogP: 3.40390
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.07178278
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

2-(p-Tolyl)-4-(trifluoromethyl)-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC=C(N2)C(F)(F)F

Technology Process of 2-(P-Tolyl)-4-(trifluoromethyl)-1H-imidazole

There total 4 articles about 2-(P-Tolyl)-4-(trifluoromethyl)-1H-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: 61.0%

4-methyl-benzaldehyde (104-87-0) + 1,1,1-trifluoro-3-(dimethylhydrazono)-2-propanone (111269-38-6) → 2-(p-tolyl)-4-trifluoromethyl-1H-imidazole (33469-18-0)

Guidance literature:

With ammonium acetate; In acetic acid; at 80 ℃; for 18h;

DOI:10.3987/COM-03-9725

Reference yield: 48.0%

4-methyl-benzaldehyde (104-87-0) + 1,1-dibromo-3,3,3-trifluoroacetone (431-67-4) → 2-(p-tolyl)-4-trifluoromethyl-1H-imidazole (33469-18-0)

Guidance literature:

1,1-dibromo-3,3,3-trifluoroacetone; With sodium acetate; for 0.5h; Heating;

4-methyl-benzaldehyde; With ammonium hydroxide; In methanol; at 20 ℃; for 20h;

DOI:10.1021/jm991154w

Reference yield:

→ 2-(p-tolyl)-4-trifluoromethyl-1H-imidazole (33469-18-0)

Guidance literature:

1,1-Dihalogen-3,3,3,-trifluoraceton, Carboxaldehyd, NH3;

upstream raw materials:

4-methyl-benzaldehyde

1,1-dibromo-3,3,3-trifluoroacetone

1,1,1-trifluoro-3-(dimethylhydrazono)-2-propanone

Downstream raw materials:

methyl 2-p-tolyl-1H-imidazole-5-carboxylate

2-(p-tolyl)-4-cyano-1H-imidazole