2-Isopropyl-4-nitro-1H-imidazole

Base Information

• Chemical Name: 2-Isopropyl-4-nitro-1H-imidazole
• CAS No.: 13373-32-5
• Molecular Formula: C6H9 N3 O2
• Molecular Weight: 155.156
• Hs Code.: 2933290090
• European Community (EC) Number: 236-450-1
• DSSTox Substance ID: DTXSID10158344
• Nikkaji Number: J86.851E
• Mol file: 13373-32-5.mol

Synonyms:2-Isopropyl-4-nitro-1H-imidazole;13373-32-5;2-Isopropyl-4(5)-nitroimidazole;2-Isopropyl-4-nitroimidazole;5-nitro-2-propan-2-yl-1H-imidazole;Imidazole, 2-isopropyl-4-nitro-;EINECS 236-450-1;1H-Imidazole, 2-(1-methylethyl)-4-nitro-;N-Desmethyl Ipronidazole;2-Isopropyl-5-nitroimidazole;SCHEMBL9775971;DTXSID10158344;AMY23491;MFCD00082178;AKOS004897049;AKOS006271561;SB32889;4-nitro-2-(propan-2-yl)-1H-imidazole;AS-60638;LS-78742;FT-0666137

Chemical Property of 2-Isopropyl-4-nitro-1H-imidazole

Chemical Property:

• Vapor Pressure: 5.65E-05mmHg at 25°C
• Melting Point: 182.5°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 357.4°Cat760mmHg
• Flash Point: 169.9°C
• PSA: 74.50000
• Density: 1.262g/cm³
• LogP: 1.96450
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• Water Solubility.: 10.9g/L(20 oC)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

N-DesmethylIpronidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC=C(N1)[N+](=O)[O-]
• Uses: Ipronidazole (I747000) derivative. A nitroimidazole with mutagenic properties.

Technology Process of 2-Isopropyl-4-nitro-1H-imidazole

There total 2 articles about 2-Isopropyl-4-nitro-1H-imidazole 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:

→ 2-isopropyl-4(5)-nitroimidazole (13373-32-5)

Guidance literature:

2-Isopropylimidazol, HNO3;

Reference yield:

→ 2-isopropyl-4(5)-nitro-(1H)-imidazole (13373-32-5)

Guidance literature:

2-Isopropylimidazol, HNO3;

Reference yield: 72.0%

2-isopropyl-4(5)-nitro-(1H)-imidazole (13373-32-5) → ipronidazole (14885-29-1)

Guidance literature:

With ammonium hydroxide; formic acid; dimethyl sulfate; In water;

Downstream raw materials:

ipronidazole