4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium

Base Information

• Chemical Name: 4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium
• CAS No.: 35687-41-3
• Molecular Formula: C₅H₇N₃O₃
• Molecular Weight: 157.129
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID80957068
• Wikidata: Q82937265
• Mol file: 35687-41-3.mol

Synonyms:DTXSID80957068;4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium

Chemical Property of 4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 63.86000
• Density: g/cm³
• LogP: -0.11580
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.05656613
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

5-methoxy-1-methyl-4-nitro-1H-Imidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CN(C=C1OC)[N+](=O)[O-]

Technology Process of 4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium

There total 4 articles about 4-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium 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: 70.0%

methanol (67-56-1) + 5-chloro-1-methyl-4-nitroimidazole (4897-25-0) → 5-Methoxy-1-methyl-4-nitroimidazole (35687-41-3)

Guidance literature:

With potassium carbonate; for 9h; Heating;

Reference yield: 67.0%

sodium methylate (124-41-4) + 5-Iodo-1-methyl-4-nitroimidazole (35681-63-1) → 5-Methoxy-1-methyl-4-nitroimidazole (35687-41-3)

Guidance literature:

In methanol; for 2h; Heating;

DOI:10.1071/CH9871399

Reference yield: 53.0%

1-methyl-5-bromo-4-nitro-1H-imidazole (933-87-9) + sodium methylate (124-41-4) → 5-Methoxy-1-methyl-4-nitroimidazole (35687-41-3)

Guidance literature:

In methanol; for 0.5h; Heating;

DOI:10.1071/CH9871399

upstream raw materials:

methanol

5-chloro-1-methyl-4-nitroimidazole

1-methyl-5-bromo-4-nitro-1H-imidazole

sodium methylate