1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde

Base Information

• Chemical Name: 1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde
• CAS No.: 4750-57-6
• Molecular Formula: C5H5 N3 O3
• Molecular Weight: 155.113
• Hs Code.: 2933290090
• European Community (EC) Number: 225-270-9
• NSC Number: 302660
• DSSTox Substance ID: DTXSID20197168
• Nikkaji Number: J61.490D
• Wikidata: Q83070125
• ChEMBL ID: CHEMBL133132
• Mol file: 4750-57-6.mol

Synonyms:1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde;4750-57-6;1-methyl-5-nitroimidazole-2-carbaldehyde;1-Methyl-2-formyl-5-nitroimidazole;EINECS 225-270-9;Imidazole-2-carboxaldehyde, 1-methyl-5-nitro-;L 12375;NSC 302660;BRN 0610005;ZK 28943;1-Methyl-5-nitro-imidazole-2-carboxaldehyde;5-24-02-00085 (Beilstein Handbook Reference);2-Formyl-1-methyl-5-nitroimidazole;CHEMBL133132;SCHEMBL8538434;DTXSID20197168;NSC302660;AKOS006227921;5-nitro-1-methyl-imidazole-2-aldehyde;NSC-302660;1-methyl-5nitroimidazol-2-carboxaldehyde;1-methyl-5-nitroimidazole-2carboxaldehyde;LS-78150;1-methyl-5-nitroimidazol-2-carboxaldehyde;1-methyl-5-nitro-2-imidazolecarboxaldehyde;1-methyl-5-nitroimidazole-2-carboxaldehyde;4-VINYLBENZYLHEXAFLUOROISOPROPYLETHER;1-methyl-5-nitro-1h-imidazole-2-carboxaldehyde;EN300-6474847;Z1198150717

Chemical Property of 1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.24E-05mmHg at 25°C
• Boiling Point: 368.8°Cat760mmHg
• Flash Point: 176.8°C
• PSA: 80.71000
• Density: 1.52g/cm³
• LogP: 0.66400
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.03309103
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=C1C=O)[N+](=O)[O-]

Technology Process of 1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde

There total 5 articles about 1-Methyl-5-nitro-1H-imidazole-2-carbaldehyde 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: 90.0%

1-methyl-2-hydroxymethyl-5-nitroimidazole (936-05-0) → 1-methyl-5-nitro-1H-imidazole-2-carbaldehyde (4750-57-6)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 2h;

DOI:10.1002/jhet.5570290461

Reference yield: 51.0%

5-nitro-1-methyl-2-(2-dimethylaminovinyl)-imidazole (57434-36-3) → 1-methyl-5-nitro-1H-imidazole-2-carbaldehyde (4750-57-6)

Guidance literature:

5-nitro-1-methyl-2-(2-dimethylaminovinyl)-imidazole; With ozone; In methanol; dichloromethane; at -78 ℃; for 2h;

With dimethylsulfide; In methanol; dichloromethane; at -78 - 20 ℃; Further stages.;

DOI:10.1021/jm0001020

Reference yield: 39.0%

dimetridazole (551-92-8) → 1-methyl-5-nitro-1H-imidazole-2-carbaldehyde (4750-57-6)

Guidance literature:

With selenium(IV) oxide; at 140 ℃; for 0.0833333h;

DOI:10.1016/0223-5234(90)90115-J

upstream raw materials:

dimetridazole

5-nitro-1H-imidazole

1-methyl-2-hydroxymethyl-5-nitroimidazole

5-nitro-1-methyl-2-(2-dimethylaminovinyl)-imidazole

Downstream raw materials:

(+/-)-3-<1-Methyl-5-nitro-imidazol-2-ylmethylen>-5-morpholinomethyl-oxazolidin-2-on

methyl-1 methyl-4' phenyliminomethyl-2 nitro-5 imidazole

methyl-1 methoxy-4' phenyliminomethyl-2 nitro-5 imidazole

(3-cyclopropyl-2-hydroxyphenyl)-(1-methyl-5-nitro-1H-2-imidazolyl)methanol

Refernces

• 1、 Arredondo,Moreno-Manas,Pleixats,Palacin,Raga,Castello,Ortiz. "Preparation, antimicrobial evaluation and mutagenicity of differently substituted [2-hydroxyaryl]-[1-methyl-5-nitro-1H-2-imidazolyl]methanols". . p. 1781 - 1784. Retrieved 1996.
• 2、 Do Nascimento, Mayara S. S.,Camara, Vitória R. F.,da Costa, Juliana S.,Barbosa, Juliana M. C.,Lins, Alessandra S. M.,Salom?o, Kelly,de Castro, Solange L.,Carvalho, Samir A.,da Silva, Edson F.,Fraga, Carlos A. M.. "Identification of novel functionalized carbohydrazonamides designed as chagas disease drug candidates". . p. 774 - 783. Retrieved 2020/08/19.
• 3、 Sarkarzadeh, Hasti,Miri, Ramin,Firuzi, Omidreza,Amini, Mohsen,Razzaghi-Asl, Nima,Edraki, Najmeh,Shafiee, Abbas. "Synthesis and antiproliferative activity evaluation of imidazole-based indeno[1,2-b]quinoline-9,11-dione derivatives". . p. 436 - 447. Retrieved 2013/07/28.