1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole

Base Information

• Chemical Name: 1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole
• CAS No.: 105555-81-5
• Molecular Formula: C₁₃H₁₃N₃O₂
• Molecular Weight: 243.265
• Nikkaji Number: J389.476B
• Mol file: 105555-81-5.mol

Synonyms:1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole;1H-Imidazole, 1-methyl-5-nitro-2-(2-phenyl-1-propenyl)-;105555-81-5;LS-78802;1-Methyl-2-[(2-phenyl-1-propenyl)]-5-nitro-1H-imidazole

Chemical Property of 1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.54E-07mmHg at 25°C
• Boiling Point: 428.2°Cat760mmHg
• Flash Point: 212.8°C
• Density: 1.19g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 243.100776666
• Heavy Atom Count: 18
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=NC=C(N1C)[N+](=O)[O-])C2=CC=CC=C2
• Isomeric SMILES: C/C(=C/C1=NC=C(N1C)[N+](=O)[O-])/C2=CC=CC=C2

Technology Process of 1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole

There total 1 articles about 1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-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: 61.0%

chlorhydrate du methyl-1 chloromethyl-2 nitro-5 imidazole (54237-04-6) + (1-nitroethyl)benzene (7214-61-1) → 1-Methyl-5-nitro-2-((E)-2-phenyl-propenyl)-1H-imidazole (105555-81-5)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In dichloromethane; for 12h; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)98502-2

upstream raw materials:

chlorhydrate du methyl-1 chloromethyl-2 nitro-5 imidazole

(1-nitroethyl)benzene