2-methyl-4-nitro-1-phenyl-1H-imidazole

Base Information

• Chemical Name: 2-methyl-4-nitro-1-phenyl-1H-imidazole
• CAS No.: 41384-82-1
• Molecular Formula: C10H9N3O2
• Molecular Weight: 203.2
• DSSTox Substance ID: DTXSID40396515
• Nikkaji Number: J664.814B
• Mol file: 41384-82-1.mol

Synonyms:2-methyl-4-nitro-1-phenyl-1H-imidazole;STK365480;41384-82-1;1H-Imidazole, 2-methyl-4-nitro-1-phenyl-;Oprea1_684582;DTXSID40396515;QEDFIVOBVCLEML-UHFFFAOYSA-N;2-methyl-1-phenyl-4-nitroimidazole;AKOS005442524;1-Phenyl-2-methyl-4-nitro-1H-imidazole;FT-0727548

Chemical Property of 2-methyl-4-nitro-1-phenyl-1H-imidazole

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.069476538
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CN1C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 2-methyl-4-nitro-1-phenyl-1H-imidazole

There total 3 articles about 2-methyl-4-nitro-1-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: 81.0%

diphenyliodonium p-toluenesulfonate (6293-66-9) + 2-methyl-5-nitro-1H-imidazole (696-23-1,88054-22-2) → 2-methyl-4-nitro-1-phenyl-1H-imidazole (41384-82-1)

Guidance literature:

With copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; regioselective reaction; Microwave irradiation;

DOI:10.1007/s10593-011-0718-z

Reference yield: 67.0%

2-methyl-4-nitro-1H-imidazole (696-23-1) + phenylboronic acid (98-80-6) → 2-methyl-4-nitro-1-phenyl-1H-imidazole (41384-82-1)

Guidance literature:

With potassium tert-butylate; tetra(n-butyl)ammonium hydroxide; copper diacetate; In water; at 20 ℃; for 22h;

DOI:10.1016/j.cclet.2011.12.015

Reference yield:

2-methyl-1,4-dinitro-1H-imidazole (19182-82-2) + aniline (62-53-3) → 2-methyl-4-nitro-1-phenyl-1H-imidazole (41384-82-1)

Guidance literature:

Yield given. Multistep reaction; 1.) aq. MeOH, 20 deg C, overnight, 2.) reflux, 1 h;

upstream raw materials:

2-methyl-1,4-dinitro-1H-imidazole

aniline

diphenyliodonium p-toluenesulfonate

2-methyl-5-nitro-1H-imidazole

Downstream raw materials:

2-Methyl-1-phenyl-1H-imidazol-4-ylamine

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