4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole

Base Information

• Chemical Name: 4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole
• CAS No.: 916975-92-3
• Molecular Formula: C11H8F3N3O2
• Molecular Weight: 271.199
• Hs Code.: 2933290090
• European Community (EC) Number: 700-566-5
• UNII: BR76KC6BSK
• DSSTox Substance ID: DTXSID80589949
• Wikidata: Q82483588
• Mol file: 916975-92-3.mol

Synonyms:916975-92-3;4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole;4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole;1H-Imidazole, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-;4-methyl-1-(3-nitro-5-trifluoromethyl-phenyl)-1H-imidazole;4-METHYL-1-[3-NITRO-5-(TRIFLUOROMETHYL)PHENYL]IMIDAZOLE;BR76KC6BSK;EC 700-566-5;SCHEMBL1505909;DTXSID80589949;AMY22021;AKOS016013452;DB-358363;NS00006751

Chemical Property of 4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 0Pa at -248.15℃
• Boiling Point: 385.25℃[at 101 325 Pa]
• PSA: 63.64000
• LogP: 3.63090
• Storage Temp.: 2-8°C
• Water Solubility.: 14.94mg/L at 25℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 271.05686099
• Heavy Atom Count: 19
• Complexity: 345

Purity/Quality:

99.9% ^*data from raw suppliers

4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)[N+](=O)[O-]
• Uses: 4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole, is a 4-methyl-1H-imidazole (4-MEI) derivative.

Technology Process of 4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole

There total 6 articles about 4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-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: 80.0%

4-methyl-1H-imidazole (822-36-6) + 3,5-dinitrobenzotrifluoride (401-99-0) → 4-methyl-1-(3-nitro-5-(trifluoromethyl)-phenyl)-1H-imidazole (916975-92-3) + C11H8F3N3O2

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 180 ℃; for 0.0833333h; Microwave irradiation;

Reference yield: 78.2%

1-bromo-3-nitro-5-(trifluoromethyl)benzene (630125-49-4) + 4-methyl-1H-imidazole (822-36-6) → 4-methyl-1-(3-nitro-5-(trifluoromethyl)-phenyl)-1H-imidazole (916975-92-3)

Guidance literature:

With isoquinolin-8-ol; copper(l) iodide; potassium carbonate; triethylamine; In N,N-dimethyl-formamide; at 100 - 140 ℃; for 5h;

Reference yield: 30.8%

4-methyl-1H-imidazole (822-36-6) + 1-fluoro-3-(trifluoromethyl)-5-nitrobenzene (454-73-9) → 4-methyl-1-(3-nitro-5-(trifluoromethyl)-phenyl)-1H-imidazole (916975-92-3)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

upstream raw materials:

4-methyl-1H-imidazole

3,5-dinitrobenzotrifluoride

1-bromo-3-nitro-5-(trifluoromethyl)benzene

1-fluoro-3-(trifluoromethyl)-5-nitrobenzene

Downstream raw materials:

4-methyl-1-(3-nitro-5-trifluoromethyl-phenyl)-1H-imidazole methanesulfonic acid salt

3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

3-iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide