1,5-Dimethyl-2-nitroimidazole

Base Information

• Chemical Name: 1,5-Dimethyl-2-nitroimidazole
• CAS No.: 5213-48-9
• Molecular Formula: C5H7N3O2
• Molecular Weight: 141.128
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10200135
• Nikkaji Number: J54.030G
• Wikidata: Q83073162
• Mol file: 5213-48-9.mol

Synonyms:1,5-Dimethyl-2-nitroimidazole;5213-48-9;Imidazole, 1,5-dimethyl-2-nitro-;L 5553;BRN 0608757;1,5-Dimethyl-2-nitro-1H-imidazole;1H-Imidazole, 1,5-dimethyl-2-nitro-;SCHEMBL4962139;DTXSID10200135;LS-78513

Chemical Property of 1,5-Dimethyl-2-nitroimidazole

Chemical Property:

• Vapor Pressure: 0.000391mmHg at 25°C
• Boiling Point: 317.2°Cat760mmHg
• Flash Point: 145.6°C
• PSA: 63.64000
• Density: 1.36g/cm³
• LogP: 1.15990
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 141.053826475
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

1,5-dimethyl-2-nitro-1H-Imidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N1C)[N+](=O)[O-]

Technology Process of 1,5-Dimethyl-2-nitroimidazole

There total 3 articles about 1,5-Dimethyl-2-nitroimidazole 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: 25.0%

4-methyl-2-nitroimidazole (5213-35-4) + methyl p-toluene sulfonate (80-48-8) → 1,5-Dimethyl-2-nitroimidazole (5213-48-9)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Reflux;

DOI:10.1016/j.bcp.2018.08.027

Reference yield:

4-methyl-2-nitroimidazole (5213-35-4) + methyl iodide (74-88-4) → 1,5-Dimethyl-2-nitroimidazole (5213-48-9)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Yields of byproduct given; Heating;

DOI:10.1021/jo00336a018

Reference yield:

→ 1,5-Dimethyl-2-nitroimidazole (5213-48-9)

Guidance literature:

2-Amino-1,5-dimethyl-imidazol-hydrochlorid, 1.) wss. HBF4, NaNO2 (ca.0grad), 2.) NaNO2, Cu-Pulver (Raumtemp.);

upstream raw materials:

4-methyl-2-nitroimidazole

methyl iodide

methyl p-toluene sulfonate

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