(1-methyl-1H-imidazol-2-yl)(phenyl)methanone

Base Information

• Chemical Name: (1-methyl-1H-imidazol-2-yl)(phenyl)methanone
• CAS No.: 30148-17-5
• Molecular Formula: C11H10N2O
• Molecular Weight: 186.213
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90489385
• Nikkaji Number: J1.146.819E
• Wikidata: Q72440333
• Mol file: 30148-17-5.mol

Synonyms:(1-methyl-1H-imidazol-2-yl)(phenyl)methanone;30148-17-5;methanone, (1-methyl-1H-imidazol-2-yl)phenyl-;(1-methylimidazol-2-yl)-phenylmethanone;2-benzoyl-1-methyl-1H-imidazole;SCHEMBL1045991;DTXSID90489385;JPCBFNIZUIYWIP-UHFFFAOYSA-N;AMY10561;AKOS000271260;AS-66289;BB 0219876;CS-0313026;FT-0768715;L10037;(1-Methyl-1H-imidazol-2-yl)-phenyl-methanon e

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 353.254oC at 760 mmHg
• Flash Point: 167.442oC
• PSA: 34.89000
• Density: 1.132g/cm3
• LogP: 1.65110
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

(1-Methyl-1H-imidazol-2-yl)(phenyl)methanone 95+% ^*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=CC=C2

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

There total 14 articles about (1-methyl-1H-imidazol-2-yl)(phenyl)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: 92.0%

3-methyl-1-[methyl(phenyl)amino]-1H-imidazol-3-ium iodide (1266333-81-6) + benzaldehyde (100-52-7) → (1-methyl-1H-imidazol-2-yl)(phenyl)methanone (30148-17-5)

Guidance literature:

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

DOI:10.1021/jo102244x

Reference yield: 85.0%

1-methyl-1H-imidazole (616-47-7) + benzoyl chloride (98-88-4) → (1-methyl-1H-imidazol-2-yl)(phenyl)methanone (30148-17-5)

Guidance literature:

With triethylamine; In acetonitrile; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c6cc04397f

Reference yield: 85.0%

2-benzyl-1-methyl-1H-imidazole (92506-23-5) → (1-methyl-1H-imidazol-2-yl)(phenyl)methanone (30148-17-5)

Guidance literature:

With copper(l) iodide; oxygen; acetic acid; In dimethyl sulfoxide; at 120 ℃; for 24h;

DOI:10.1039/c5sc03530a

upstream raw materials:

1-methyl-1H-imidazole

benzoic acid methyl ester

n-benzoylpyrrolidine

benzoyl chloride

Downstream raw materials:

2-(diphenylhydroxymethyl)-1-methyl-1H-imidazole

2-(1-hydroxy-1-phenyl-3-butenyl)-1-methyl-1H-imidazole

2-(1-hydroxy-1-phenyl-1-pentyl)-1-methyl-1H-imidazole

2-(1-phenyl-1-ethenyl)-1-methyl-1H-imidazole