2-(4-FLUORO-PHENYL)-4-METHYL-5-NITRO-1H-IMIDAZOLE

Base Information

• Chemical Name: 2-(4-FLUORO-PHENYL)-4-METHYL-5-NITRO-1H-IMIDAZOLE
• CAS No.: 104575-41-9
• Molecular Formula: C10H8 F N3 O2
• Molecular Weight: 221.1878
• Hs Code.: 2933290090
• Mol file: 104575-41-9.mol

Synonyms:

Chemical Property of 2-(4-FLUORO-PHENYL)-4-METHYL-5-NITRO-1H-IMIDAZOLE

Chemical Property:

• Vapor Pressure: 3.36E-07mmHg at 25°C
• Boiling Point: 430°Cat760mmHg
• Flash Point: 213.9°C
• PSA: 74.50000
• Density: 1.394g/cm³
• LogP: 2.95560

Purity/Quality:

2-(4-FLUORO-PHENYL)-4-METHYL-5-NITRO-1H-IMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-FLUORO-PHENYL)-4-METHYL-5-NITRO-1H-IMIDAZOLE

There total 3 articles about 2-(4-FLUORO-PHENYL)-4-METHYL-5-NITRO-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: 52.0%

4-methyl-2-(4-fluorophenyl)imidazole (104575-40-8) → 4-methyl-5-nitro-2-(4-fluorophenyl)imidazole (104575-41-9)

Guidance literature:

With nitric acid; acetic anhydride; at 100 ℃; for 0.25h;

DOI:10.1021/jm00384a025

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-methyl-5-nitro-2-(4-fluorophenyl)imidazole (104575-41-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 67 percent / HCl(g) / 144 h / 20 °C

2: 1.) glacial acetic acid, 2.) 5 N HCl / 1.) 100 deg C, 2 h, 2.) 100 deg C, 30 min

3: 52 percent / acetic anhydride, nitric acid / 0.25 h / 100 °C

With hydrogenchloride; nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/jm00384a025

Reference yield:

ethyl 4-fluorobenzimidate (52162-47-7) → 4-methyl-5-nitro-2-(4-fluorophenyl)imidazole (104575-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) glacial acetic acid, 2.) 5 N HCl / 1.) 100 deg C, 2 h, 2.) 100 deg C, 30 min

2: 52 percent / acetic anhydride, nitric acid / 0.25 h / 100 °C

With hydrogenchloride; nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/jm00384a025

upstream raw materials:

4-methyl-2-(4-fluorophenyl)imidazole

4-fluorobenzonitrile

ethyl 4-fluorobenzimidate

Downstream raw materials:

1-methyl-2-(4-fluorophenyl)-4-(2-hydroxyethyl)-5-nitroimidazole

1,5-dimethyl-2-(4-fluorophenyl)-4-nitroimidazole

Refernces