(4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone

Base Information

• Chemical Name: (4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone
• CAS No.: 30148-18-6
• Molecular Formula: C11H9ClN2O
• Molecular Weight: 220.65500
• Hs Code.: 2933290090
• European Community (EC) Number: 668-499-3
• DSSTox Substance ID: DTXSID001219634
• Mol file: 30148-18-6.mol

Synonyms:(4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone;30148-18-6;2-(4-chlorobenzoyl)-1-methyl-1H-imidazole;(4-chlorophenyl)-(1-methylimidazol-2-yl)methanone;4-Chlorophenyl 1-methyl-2-imidazolyl ketone;SCHEMBL5918187;DTXSID001219634;MFCD00033559;AKOS008998542;CS-0242371;EN300-248085;Z86499940

Chemical Property of (4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone

Chemical Property:

• Vapor Pressure: 1.64E-06mmHg at 25°C
• Boiling Point: 397oC at 760 mmHg
• Flash Point: 193.9oC
• PSA: 34.89000
• Density: 1.26g/cm3
• LogP: 2.30450
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.0403406
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

2-(4-chlorobenzoyl)-1-methyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1C(=O)C2=CC=C(C=C2)Cl

Technology Process of (4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone

There total 3 articles about (4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone 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: 90.0%

3-methyl-1-[methyl(phenyl)amino]-1H-imidazol-3-ium iodide (1266333-81-6) + 4-chlorobenzaldehyde (104-88-1) → 4-chlorophenyl 1-methylimidazol-2-yl ketone (30148-18-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 1h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo102244x

Reference yield: 62.0%

1-methyl-1H-imidazole (616-47-7) + 4-chlorobenzaldehyde (104-88-1) → 4-chlorophenyl 1-methylimidazol-2-yl ketone (30148-18-6)

Guidance literature:

1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 2h;

4-chlorobenzaldehyde; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 1h;

With iodine; potassium carbonate; In tert-butyl alcohol; for 18h; Reflux;

DOI:10.1016/j.tet.2011.12.023

Reference yield:

→ 4-chlorophenyl 1-methylimidazol-2-yl ketone (30148-18-6)

Guidance literature:

1-Methylimidazol, 4-Chlorbenzoylchlorid;

upstream raw materials:

3-methyl-1-[methyl(phenyl)amino]-1H-imidazol-3-ium iodide

4-chlorobenzaldehyde

1-methyl-1H-imidazole

Downstream raw materials:

α-(4-chlorophenyl)-α-methyl-1-methyl-1H-imidazole-2-methanol

(4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanol