1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole

Base Information

• Chemical Name: 1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole
• CAS No.: 63875-06-9
• Molecular Formula: C11H9F3N2
• Molecular Weight: 226.19800
• DSSTox Substance ID: DTXSID00579100
• Nikkaji Number: J669.302D
• Wikidata: Q72495471
• Mol file: 63875-06-9.mol

Synonyms:1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole;63875-06-9;1-METHYL-2-PHENYL-4-(TRIFLUOROMETHYL)IMIDAZOLE;1-methyl-2-phenyl-4-trifluoromethylimidazole;SCHEMBL7480252;DTXSID00579100

Chemical Property of 1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole

Chemical Property:

• PSA: 17.82000
• LogP: 3.10590
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.07178278
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99.90% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1C2=CC=CC=C2)C(F)(F)F

Technology Process of 1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole

There total 5 articles about 1-Methyl-2-phenyl-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: 88.0%

4-hydroxy-1-methyl-2-phenyl-4-trifluoromethyl-4,5-dihydroimidazole (161670-75-3) → 1-N-methyl-3-trifluoromethyl-2-phenylimidazole (63875-06-9)

Guidance literature:

With trichlorophosphate; In pyridine;

DOI:10.1039/c39940002101

Reference yield: 56.0%

N-methyl-N-[1-(3,3,3-trifluoro-2,2-dihydroxy)propyl]benzamide → 1-N-methyl-3-trifluoromethyl-2-phenylimidazole (63875-06-9)

Guidance literature:

With ammonium acetate; acetic acid; In toluene; at 135 ℃; for 8h; Inert atmosphere;

DOI:10.3987/COM-13-12838

Reference yield:

4-trifluoroacetyl-3-methyl-2-phenyl-1,3-oxazol-3-ium-5-olate (14119-99-4) → 1-N-methyl-3-trifluoromethyl-2-phenylimidazole (63875-06-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 19 percent / K₂CO₃ / dimethylformamide / 2 h / 70 °C

2: 88 percent / POCl₃; pyridine / 2 h / 90 °C

With pyridine; potassium carbonate; trichlorophosphate; In N,N-dimethyl-formamide; 1: Condensation / 2: Dehydration;

DOI:10.1248/cpb.48.410

upstream raw materials:

4-hydroxy-1-methyl-2-phenyl-4-trifluoromethyl-4,5-dihydroimidazole

N-benzoyl-N-methylglycine

4-trifluoroacetyl-3-methyl-2-phenyl-1,3-oxazol-3-ium-5-olate

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