1H-Imidazole, 1-(1-methyl-1-nitroethyl)-

Base Information

• Chemical Name: 1H-Imidazole, 1-(1-methyl-1-nitroethyl)-
• CAS No.: 117376-97-3
• Molecular Formula: C6H9N3O2
• Molecular Weight: 155.156
• DSSTox Substance ID: DTXSID60556876
• Mol file: 117376-97-3.mol

Synonyms:1H-Imidazole, 1-(1-methyl-1-nitroethyl)-;117376-97-3;1-(2-NITROPROPAN-2-YL)IMIDAZOLE;DTXSID60556876;1-(2-Nitropropan-2-yl)-1H-imidazole

Chemical Property of 1H-Imidazole, 1-(1-methyl-1-nitroethyl)-

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(N1C=CN=C1)[N+](=O)[O-]

Technology Process of 1H-Imidazole, 1-(1-methyl-1-nitroethyl)-

There total 3 articles about 1H-Imidazole, 1-(1-methyl-1-nitroethyl)- 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: 28.0%

1H-imidazole (288-32-4) + 2-nitro-propan-2-ide (20846-00-8) → 2,3-dimethyl-2,3-dinitrobutane (3964-18-9) + 1-(1-methyl-1-nitroethyl)imidazole (117376-97-3)

Guidance literature:

With sodium hydroxide; sodium persulfate; potassium hexacyanoferrate(III); In dichloromethane; at 0 ℃; for 2h; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1039/P19890001415

Reference yield: 8.0%

1H-imidazole (288-32-4) + 2,2-dinitropropane (595-49-3) → 2,3-dimethyl-2,3-dinitrobutane (3964-18-9) + 1-(1-methyl-1-nitroethyl)imidazole (117376-97-3)

Guidance literature:

With potassium tert-butylate; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 24h; Irradiation;

DOI:10.1039/P19890001415

Reference yield: 2.0%

1H-imidazole (288-32-4) + 2-bromo-2-nitropropane (5447-97-2) → 2,3-dimethyl-2,3-dinitrobutane (3964-18-9) + 1-(1-methyl-1-nitroethyl)imidazole (117376-97-3)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 48h; Irradiation;

DOI:10.1039/P19890001415

upstream raw materials:

1H-imidazole

2-bromo-2-nitropropane

2,2-dinitropropane

2-nitro-propan-2-ide

Downstream raw materials:

1-[1-Methyl-1-(2-phenyl-[1,3]dioxan-5-yl)-ethyl]-1H-imidazole

1-[1-Methyl-1-(2-phenyl-[1,3]dioxan-5-yl)-ethyl]-1H-imidazole

1-[1-Methyl-1-(2-phenyl-[1,3]dioxan-5-yl)-ethyl]-1H-imidazole

1-[1-Methyl-1-(5-nitro-2-phenyl-[1,3]dioxan-5-yl)-ethyl]-1H-imidazole

Refernces