5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole

Base Information

• Chemical Name: 5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole
• CAS No.: 21117-52-2
• Molecular Formula: C5H6BrN3O2
• Molecular Weight: 220.024
• European Community (EC) Number: 857-972-1
• NSC Number: 226232
• DSSTox Substance ID: DTXSID60175344
• Nikkaji Number: J1.609.118I
• Wikidata: Q83045655

Synonyms:5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole;21117-52-2;5-BROMO-1,2-DIMETHYL-4-NITROIMIDAZOLE;1H-Imidazole, 5-bromo-1,2-dimethyl-4-nitro-;NSC226232;SCHEMBL8340603;DTXSID60175344;AKOS022689124;NSC 226232;NSC-226232;1,2-dimethyl-4-nitro-5-bromoimidazole;Imidazole, 5-bromo-1,2-dimethyl-4-nitro-;1,2-Dimethyl-5-bromo-4-nitro-1H-imidazole;CS-0251377;EN300-54553;5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole #

Chemical Property of 5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.000396mmHg at 25°C
• Boiling Point: 327°Cat760mmHg
• Flash Point: 151.6°C
• Density: 1.89g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 218.96434
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(N1C)Br)[N+](=O)[O-]

Technology Process of 5-Bromo-1,2-dimethyl-4-nitro-1H-imidazole

There total 3 articles about 5-Bromo-1,2-dimethyl-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: 2.9%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5-bromo-2-methyl-4-nitro-1H-imidazole (18874-52-7) → 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole (21117-52-2)

Guidance literature:

In diethyl ether; at 20 ℃; for 6h;

DOI:10.3987/COM-12-12502

Reference yield:

5-bromo-2-methyl-4-nitro-1H-imidazole (18874-52-7) + dimethyl sulfate (77-78-1) → 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole (21117-52-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.bmcl.2006.11.087

Reference yield:

→ 5-bromo-1,2-dimethyl-4-nitro-1H-imidazole (21117-52-2)

Guidance literature:

DOI:10.1007/BF00759631

upstream raw materials:

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

dimethyl sulfate

diazomethane

Downstream raw materials:

1,2-dimethyl-4-nitro-5-phenylthioimidazole

1,2-dimethyl-5-(4'-methylphenyl)thio-4-nitroimidazole

5-methoxy-1,2-dimethyl-4-nitroimidazole

1,2-Dimethyl-4-nitro-5-(2-hydroxy-ethylamino)-imidazol

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