Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenyl-

Base Information

• Chemical Name: Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenyl-
• CAS No.: 57338-58-6
• Molecular Formula: C12H10BrN3O3
• Molecular Weight: 324.134
• DSSTox Substance ID: DTXSID20358712
• Nikkaji Number: J1.077.101C
• Wikidata: Q82139500
• ChEMBL ID: CHEMBL1606572
• Mol file: 57338-58-6.mol

Synonyms:57338-58-6;Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenyl-;Oprea1_198134;MLS000554678;CHEMBL1606572;DTXSID20358712;HMS2298J20;STK834347;AKOS001791831;SMR000146795;1-phenacyl-2-methyl-4-nitro-5-bromoimidazole;SR-01000094956;SR-01000094956-1;2-(5-Bromo-2-methyl-4-nitro-imidazol-1-yl)-1-phenyl-ethanone;2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethanone;2-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)-1-PHENYLETHAN-1-ONE

Chemical Property of Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenyl-

Chemical Property:

• PSA: 80.71000
• LogP: 3.26830
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 322.99055
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(N1CC(=O)C2=CC=CC=C2)Br)[N+](=O)[O-]

Technology Process of Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenyl-

There total 7 articles about Ethanone, 2-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenyl- 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: 86.0%

4-bromo-2-methyl-5-nitro-1-phenacylimidazole (204444-52-0) → 5-bromo-1-phenacyl-2-methyl-4-nitroimidazole (57338-58-6)

Guidance literature:

In ethanol; for 3h; Heating;

DOI:10.1002/(SICI)1521-3897(199902)341:2<179::AID-PRAC179>3.0.CO;2-Z

Reference yield: 84.0%

2-methyl-4-nitro-1-phenacylimidazole (79456-88-5) → 5-bromo-1-phenacyl-2-methyl-4-nitroimidazole (57338-58-6)

Guidance literature:

With bromine; In water; N,N-dimethyl-formamide; at 45 - 50 ℃;

DOI:10.1007/BF00503492

Reference yield: 68.0%

α-bromoacetophenone (70-11-1) + 5-bromo-2-methyl-4-nitro-1H-imidazole (18874-52-7) → 5-bromo-1-phenacyl-2-methyl-4-nitroimidazole (57338-58-6)

Guidance literature:

With sodium ethanolate; In ethanol; Heating;

DOI:10.1007/BF00503492

upstream raw materials:

2-methyl-4-nitro-1-phenacylimidazole

α-bromoacetophenone

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

4-bromo-2-methyl-5-nitroimidazole

Downstream raw materials:

6-Methyl-8-nitro-1,3-diphenyl-1,4-dihydro-imidazo[5,1-c][1,2,4]triazine

6-methyl-8-nitro-3-phenyl-1,4-dihydro-imidazo[5,1-c][1,2,4]triazine

1-phenacyl-2-methyl-4-nitro-5-bromoimidazole 2,4-dinitrophenylhydrazone

6-Methyl-8-nitro-1-(4-nitro-phenyl)-3-phenyl-1,4-dihydro-imidazo[5,1-c][1,2,4]triazine