Methyl 2-nitroimidazole-1-acetate

Base Information Edit

Chemical Name:Methyl 2-nitroimidazole-1-acetate
CAS No.:22813-31-6
Molecular Formula:C6H7 N3 O4
Molecular Weight:185.139
Hs Code.:2933290090
European Community (EC) Number:245-243-5
NSC Number:302986
UNII:Z3794V5PR2
DSSTox Substance ID:DTXSID60177368
Nikkaji Number:J286.319G
Wikidata:Q83047700
ChEMBL ID:CHEMBL2130806
Mol file:22813-31-6.mol

Synonyms:22813-31-6;Methyl 2-nitroimidazole-1-acetate;Methyl 2-nitro-1-imidazoleacetate;methyl 2-(2-nitroimidazol-1-yl)acetate;methyl 2-(2-nitro-1H-imidazol-1-yl)acetate;MLS003115770;1H-imidazole-1-acetic acid, 2-nitro-, methyl ester;Z3794V5PR2;EINECS 245-243-5;NSC-302986;SMR001831336;2-Nitro-1H-imidazole-1-acetic acid methyl ester;NSC302986;cid_89851;UNII-Z3794V5PR2;SCHEMBL3835016;CHEMBL2130806;BDBM96295;DTXSID60177368;XAA81331;AKOS015905473;NSC 302986;METHYL2-NITRO-1-IMIDAZOLEACETATE;Methyl 2-nitro-1-imidazoleacetate, 99%;methyl (2-nitro-1H-imidazol-1-yl)acetate;methyl 2-(2-nitroimidazol-1-yl)ethanoate;methyl2-(2-nitro-1H-imidazol-1-yl)acetate;2-(2-nitro-1-imidazolyl)acetic acid methyl ester;2-(2-nitroimidazol-1-yl)acetic acid methyl ester;J-014867;IMIDAZOLE-1-ACETIC ACID, 2-NITRO-, METHYL ESTER

Suppliers and Price of Methyl 2-nitroimidazole-1-acetate

Supply Marketing:Edit

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

Usbiological
2-Nitro-1H-imidazole-1-acetic Acid Methyl Ester
10mg
$ 319.00

TRC
2-Nitro-1H-imidazole-1-aceticAcidMethylEster
250 mg
$ 185.00

Sigma-Aldrich
Methyl 2-nitro-1-imidazoleacetate 99%
500mg
$ 206.00

Medical Isotopes, Inc.
2-Nitro-1H-imidazole-1-aceticAcidMethylEster
250 mg
$ 950.00

American Custom Chemicals Corporation
METHYL 2-NITRO-1-IMIDAZOLEACETATE 95.00%
500MG
$ 805.88

Alichem
Methyl 2-nitro-1-imidazoleacetate
1g
$ 890.00

Total 17 raw suppliers

Chemical Property of Methyl 2-nitroimidazole-1-acetate Edit

Chemical Property:

Vapor Pressure:9.61E-06mmHg at 25°C
Melting Point:95-97 °C(lit.)
Boiling Point:372.4°Cat760mmHg
PKA:0.30±0.31(Predicted)
Flash Point:179.1°C
PSA：89.94000
Density:1.48g/cm³
LogP:0.48750
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
XLogP3:-0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:185.04365571
Heavy Atom Count:13
Complexity:214

Purity/Quality:

99% ^*data from raw suppliers

2-Nitro-1H-imidazole-1-acetic Acid Methyl Ester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:COC(=O)CN1C=CN=C1[N+](=O)[O-]
Uses 2-Nitro-1H-imidazole-1-acetic Acid Methyl Ester is an intermediate in the synthesis Benznidazole (B197927), is a labelled analogue of Benznidazole (B197925).

Technology Process of Methyl 2-nitroimidazole-1-acetate

There total 6 articles about Methyl 2-nitroimidazole-1-acetate 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: 98.0%