4-Bromo-1-methyl-5-nitro-1H-imidazole-2-carbonitrile

Base Information

Chemical Name:4-Bromo-1-methyl-5-nitro-1H-imidazole-2-carbonitrile
CAS No.:162759-92-4
Molecular Formula:C5H3BrN4O2
Molecular Weight:231.00700
Hs Code.:2933290090
DSSTox Substance ID:DTXSID20441092
Nikkaji Number:J639.994K
Wikidata:Q82257674
Mol file:162759-92-4.mol

Synonyms:162759-92-4;4-BROMO-1-METHYL-5-NITRO-1H-IMIDAZOLE-2-CARBONITRILE;4-BROMO-1-METHYL-5-NITROIMIDAZOLE-2-CARBONITRILE;4-Bromo-2-cyano-1-methyl-5-nitro-1H-imidazole;DTXSID20441092

Suppliers and Price of 4-Bromo-1-methyl-5-nitro-1H-imidazole-2-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-BROMO-1-METHYL-5-NITRO-1H-IMIDAZOLE-2-CARBONITRILE 95.00%
5MG
$ 497.94

Total 3 raw suppliers

Chemical Property of 4-Bromo-1-methyl-5-nitro-1H-imidazole-2-carbonitrile

Chemical Property:

Boiling Point:361.0±45.0 °C(Predicted)
PKA:-5.38±0.60(Predicted)
PSA：87.43000
Density:2.02±0.1 g/cm3(Predicted)
LogP:1.48568
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:229.94394
Heavy Atom Count:12
Complexity:244

Purity/Quality:

97% ^*data from raw suppliers

4-BROMO-1-METHYL-5-NITRO-1H-IMIDAZOLE-2-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NC(=C1[N+](=O)[O-])Br)C#N

Technology Process of 4-Bromo-1-methyl-5-nitro-1H-imidazole-2-carbonitrile

There total 1 articles about 4-Bromo-1-methyl-5-nitro-1H-imidazole-2-carbonitrile 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: 85.0%

: 151-50-8
potassium cyanide

: 162759-90-2
2,4-dibromo-1-methyl-5-nitro-1H-imidazole

: 162759-92-4
4-bromo-1-methyl-5-nitro-1H-2-imidazolecarbonitrile

Guidance literature:: With 18-crown-6 ether; In dimethyl sulfoxide; at 80 ℃; for 2h;
DOI:10.1002/jhet.5570370120

Reference yield: 75.0%

: 108-98-5
thiophenol

: 162759-92-4
4-bromo-1-methyl-5-nitro-1H-2-imidazolecarbonitrile

: 2-cyano-1-methyl-5-nitro-4-thiophenylimidazole

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 20 ℃; for 18h;
DOI:10.1002/jhet.5570370120

Reference yield:

: 162759-92-4
4-bromo-1-methyl-5-nitro-1H-2-imidazolecarbonitrile

: 2-amino-5-(1-methyl-5-nitro-4-thiophenyl-2-imidazolyl)-1,3,4-thiadizol

Guidance literature:: Multi-step reaction with 2 steps

1: 500 mg / TFA / 15 h / 50 °C

2: 90 percent / NaOMe / tetrahydrofuran / 15 h / 20 °C

With sodium methylate; trifluoroacetic acid; In tetrahydrofuran; 1: Condensation / 2: Substitution;
DOI:10.1002/jhet.5570370120