Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-

Base Information

• Chemical Name: Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-
• CAS No.: 39928-74-0
• Molecular Formula: C5H5N3O3
• Molecular Weight: 155.113
• NSC Number: 294741
• UNII: VJ56Z8E3S5
• DSSTox Substance ID: DTXSID60192975
• Nikkaji Number: J86.805A
• Wikidata: Q83065666
• ChEMBL ID: CHEMBL3247250
• Mol file: 39928-74-0.mol

Synonyms:39928-74-0;Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-;3-methyl-2-nitroimidazole-4-carbaldehyde;1-methyl-2-nitro-1H-imidazole-5-carbaldehyde;L 8711;NSC 294741;BRN 0744488;VJ56Z8E3S5;1-Methyl-2-nitro-imidazole-5-carboxaldehyde;NSC-294741;L-8711;5-24-02-00096 (Beilstein Handbook Reference);UNII-VJ56Z8E3S5;CHEMBL3247250;SCHEMBL11669063;DTXSID60192975;1-Methyl-2-nitro-5-imidazolaldehyde;NSC294741;SR-2525;LS-78151;1-methyl-2-nitro-5-imidazolcarboxaldehyde;1-methyl-2-nitro-5-imidazolecarboxaldehyde;EN300-6501539;Z3247585267

Chemical Property of Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-

Chemical Property:

• Vapor Pressure: 1.32E-06mmHg at 25°C
• Boiling Point: 399.9°C at 760 mmHg
• Flash Point: 195.7°C
• PSA: 80.71000
• Density: 1.52g/cm³
• LogP: 0.66400
• XLogP3: -0.1
• 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-2-nitro-1H-Imidazole-5-carboxaldehyde 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=C1[N+](=O)[O-])C=O

Technology Process of Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-

There total 8 articles about Imidazole-5-carboxaldehyde, 1-methyl-2-nitro- 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%

1-methyl-2-nitro-5-hydroxymethylimidazole (39070-14-9) → 1-methyl-2-nitro-1H-imidazole-5-carbaldehyde (39928-74-0)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.11.093

Reference yield: 63.0%

1-Methyl-2-nitro-5-vinylimidazol (39070-08-1) → 1-methyl-2-nitro-1H-imidazole-5-carbaldehyde (39928-74-0)

Guidance literature:

With sodium periodate; OsO₄; In 1,2-dimethoxyethane; water;

Reference yield: 60.0%

1-methyl-2-nitro-5-styrylimidazole (39070-11-6) → 1-methyl-2-nitro-1H-imidazole-5-carbaldehyde (39928-74-0)

Guidance literature:

With sodium periodate; OsO₄; In methanol; water;

upstream raw materials:

1-Methyl-2-nitro-5-vinylimidazol

1-methyl-2-nitro-5-styrylimidazole

1-methyl-2-nitro-5-hydroxymethylimidazole

ethyl 2-amino-1-N-methyl-1H-imidazole-5-carboxylate

Downstream raw materials:

(3-methyl-2-nitro-3H-imidazol-4-ylmethylene)-morpholin-4-yl-amine

3-(3-methyl-2-nitro-3H-imidazol-4-ylmethyleneamino)-2-thioxo-thiazolidin-4-one

3-methyl-2-nitro-3H-imidazole-4-carbaldehyde (2,4-dinitro-phenyl)-hydrazone

methyl-(3-methyl-2-nitro-3H-imidazol-4-ylmethylene)-amine oxide

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