2,4-Dibromo-1-methyl-5-nitro-1H-imidazole

Base Information

• Chemical Name: 2,4-Dibromo-1-methyl-5-nitro-1H-imidazole
• CAS No.: 162759-90-2
• Molecular Formula: C4H3 Br2 N3 O2
• Molecular Weight: 284.895
• DSSTox Substance ID: DTXSID70444497
• Nikkaji Number: J1.286.882K
• Mol file: 162759-90-2.mol

Synonyms:2,4-DIBROMO-1-METHYL-5-NITRO-1H-IMIDAZOLE;162759-90-2;2,4-DIBROMO-1-METHYL-5-NITROIMIDAZOLE;1H-Imidazole, 2,4-dibromo-1-methyl-5-nitro-;DTXSID70444497;AKOS015910431;2,4-Dibromo-5-nitro-1-methyl-1H-imidazole;InChI=1/C4H3Br2N3O2/c1-8-3(9(10)11)2(5)7-4(8)6/h1H

Chemical Property of 2,4-Dibromo-1-methyl-5-nitro-1H-imidazole

Chemical Property:

• Boiling Point: 360.4±45.0 °C(Predicted)
• PKA: -3.92±0.60(Predicted)
• PSA: 63.64000
• Density: 2.51±0.1 g/cm3(Predicted)
• LogP: 2.37650
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 284.85715
• Heavy Atom Count: 11
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dibromo-1-methyl-5-nitro-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(N=C1Br)Br)[N+](=O)[O-]

Technology Process of 2,4-Dibromo-1-methyl-5-nitro-1H-imidazole

There total 3 articles about 2,4-Dibromo-1-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: 95.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,4(5)-dibromo-5(4)-nitroimidazole (6154-30-9) → 2,4-dibromo-1-methyl-5-nitro-1H-imidazole (162759-90-2) + 2,5-dibromo-1-methyl-4-nitroimidazole (72255-86-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1002/jhet.5570370120

Reference yield: 38.0%

dimethyl sulfate (77-78-1) + 2,4(5)-dibromo-5(4)-nitroimidazole (6154-30-9) → 2,4-dibromo-1-methyl-5-nitro-1H-imidazole (162759-90-2) + 2,5-dibromo-1-methyl-4-nitroimidazole (72255-86-8)

Guidance literature:

In N,N-dimethyl-formamide; at 0 - 100 ℃; for 2h;

DOI:10.3390/molecules22081278

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,4(5)-dibromo-5(4)-nitroimidazole (6154-30-9) → 2,4-dibromo-1-methyl-5-nitro-1H-imidazole (162759-90-2)

Guidance literature:

In diethyl ether; at 20 ℃; for 1h;

DOI:10.1021/jm021030a

upstream raw materials:

diazomethane

2,4⁽⁵⁾-dibromo-5⁽⁴⁾-nitroimidazole

dimethyl sulfate

Downstream raw materials:

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

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