1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid

Base Information

Chemical Name:1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid
CAS No.:109012-24-0
Molecular Formula:C5H5N3O4
Molecular Weight:171.112
Hs Code.:2933290090
DSSTox Substance ID:DTXSID70476910
Nikkaji Number:J1.259.301E
Wikidata:Q82308837
Mol file:109012-24-0.mol

Synonyms:1-METHYL-4-NITRO-1H-IMIDAZOLE-2-CARBOXYLIC ACID;109012-24-0;1-methyl-4-nitroimidazole-2-carboxylic acid;1-methyl-4-nitro-1H-Imidazole-2-carboxylicacid;SCHEMBL3287960;DTXSID70476910;YGULFBUDTAHAKI-UHFFFAOYSA-N;AKOS006229920;AB54849;AS-67297;CS-0151178;D82624

Suppliers and Price of 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid

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

TRC
1-Methyl-4-nitro-1H-Imidazole-2-carboxylicAcid
250mg
$ 85.00

Crysdot
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid 95+%
1g
$ 432.00

Crysdot
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid 95+%
250mg
$ 173.00

Chemenu
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid 95%
1g
$ 408.00

American Custom Chemicals Corporation
1-METHYL-4-NITRO-1H-IMIDAZOLE-2-CARBOXYLIC ACID 95.00%
5MG
$ 500.17

Ambeed
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid 95+%
100mg
$ 157.00

Ambeed
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid 95+%
1g
$ 441.00

Alichem
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid
1g
$ 427.28

Alichem
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid
250mg
$ 176.75

AK Scientific
1-Methyl-4-nitro-1H-imidazole-2-carboxylicacid
1g
$ 639.00

Total 19 raw suppliers

Chemical Property of 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid

Chemical Property:

Melting Point:134-137℃
Boiling Point:455.6±37.0 °C(Predicted)
PKA:2.70±0.37(Predicted)
PSA：100.94000
Density:1.72±0.1 g/cm3(Predicted)
LogP:0.54970
Storage Temp.:2-8°C
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:171.02800565
Heavy Atom Count:12
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-4-nitro-1H-Imidazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(N=C1C(=O)O)[N+](=O)[O-]
Uses 1-Methyl-4-nitro-1H-Imidazole-2-carboxylic Acid is an intermediate used in the synthesis of imidazole-containing DNA minor groove binding oligopeptides related to the antiviral antibiotic netropsin. It is also used to prepare distamycin derivatives with antitumor activities.

Technology Process of 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid

There total 3 articles about 1-Methyl-4-nitro-1H-imidazole-2-carboxylic acid 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%

: 109012-23-9
ethyl 1-methyl-4-nitroimidazole-2-carboxylate

: 109012-24-0
1-methyl-4-nitro-1H-imidazole-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In water; for 0.25h; Heating;
DOI:10.1021/jo00392a001

Reference yield:

: 120095-64-9
2,2,2-trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one

: 109012-24-0
1-methyl-4-nitro-1H-imidazole-2-carboxylic acid

Guidance literature:: With water; potassium hydroxide; In methanol;
DOI:10.1021/ol1013262

Reference yield:

: 30148-21-1
ethyl 1-methyl-1H-imidazole-2-carboxylate

: 109012-24-0
1-methyl-4-nitro-1H-imidazole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 46.5 percent / conc. H₂SO₄, 100percent HNO₃ / 0.83 h / 95 °C

2: 95 percent / NaOH / H₂O / 0.25 h / Heating

With sodium hydroxide; sulfuric acid; nitric acid; In water;
DOI:10.1021/jo00392a001