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

Base Information

• Chemical Name: 1-benzyl-2-methyl-4-nitro-1H-imidazole
• CAS No.: 13230-06-3
• Molecular Formula: C11H11N3O2
• Molecular Weight: 217.227
• DSSTox Substance ID: DTXSID10353933
• Nikkaji Number: J603.545K
• Wikidata: Q82131797
• Mol file: 13230-06-3.mol

Synonyms:1-benzyl-2-methyl-4-nitro-1H-imidazole;13230-06-3;1-benzyl-2-methyl-4-nitroimidazole;Oprea1_541025;DTXSID10353933;STK833890;AKOS001483158;CCG-103115;EU-0066735;SR-01000389055;SR-01000389055-1

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

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.085126602
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CN1CC2=CC=CC=C2)[N+](=O)[O-]

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

There total 5 articles about 1-benzyl-2-methyl-4-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: 95.0%

benzyl chloride (100-44-7) + 2-methyl-4-nitro-1H-imidazole (696-23-1) → 2-Methyl-4-nitro-1-(phenylmethyl)-1H-imidazole (13230-06-3)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In acetonitrile; at 70 - 80 ℃; for 1h;

DOI:10.1080/00397919308012596

Reference yield: 84.0%

benzyl bromide (100-39-0) + 2-methyl-5-nitro-1H-imidazole (696-23-1,88054-22-2) → 2-Methyl-4-nitro-1-(phenylmethyl)-1H-imidazole (13230-06-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 18h; Ambient temperature;

DOI:10.1002/jhet.5570230350

Reference yield: 77.0%

1-benzyl-2-methyl-5-nitro-1H-imidazole (13230-44-9) → 2-Methyl-4-nitro-1-(phenylmethyl)-1H-imidazole (13230-06-3)

Guidance literature:

With benzyl chloride; acetic acid; In N,N-dimethyl-formamide; at 140 ℃; for 5h;

upstream raw materials:

benzyl bromide

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

benzyl chloride

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

Downstream raw materials:

5-Bromo-2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazole

1-Benzyl-5-dichlormethyl-2-methyl-4-nitroimidazol

1-Benzyl-2-methyl-4-nitroimidazol-5-carbaldehyd

4-(1-Benzyl-2-methyl-4-nitro-imidazol-5-yl)-1,4-dihydro-2,6-dimethyl-pyridin-3,5-dicarbonsaeuredimethylester