3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide

Base Information

• Chemical Name: 3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide
• CAS No.: 19748-13-1
• Molecular Formula: C12H13 N2 O . Br
• Molecular Weight: 281.152
• ChEMBL ID: CHEMBL350337
• DSSTox Substance ID: DTXSID70546844
• NSC Number: 170272

Synonyms:19748-13-1;CHEMBL350337;SCHEMBL3844582;DTXSID70546844;3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide;NSC170272;3-methyl-1-phenacylimidazolium bromide;NSC-170272;SR-01000401799;SR-01000401799-1

Chemical Property of 3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 280.02113
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CN(C=C1)CC(=O)C2=CC=CC=C2.[Br-]

Technology Process of 3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide

There total 4 articles about 3-Methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide 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: 95.0%

1-methyl-1H-imidazole (616-47-7) + α-bromoacetophenone (70-11-1) → 1-methyl-3-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide (19748-13-1)

Guidance literature:

In diethyl ether; at 20 ℃; for 16h;

DOI:10.1039/c2gc36276g

Reference yield:

acetophenone (98-86-2) → 1-methyl-3-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide (19748-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: water; hydrogen bromide; bromine / chloroform / 4 h / 0 - 20 °C

2: ethanol

With water; hydrogen bromide; bromine; In ethanol; chloroform;

DOI:10.1016/j.jphotochem.2012.05.013

Reference yield:

1-methyl-1H-imidazole (616-47-7) + 1,3-dimethylbarbituric acid (769-42-6) + benzaldehyde (100-52-7) + α-bromoacetophenone (70-11-1) → 5-benzylidene-1,3-dimethyl-pyrimidine-2,4,6-trione (54459-73-3) + 1-methyl-3-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide (19748-13-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 2h;

DOI:10.1021/cc900161z

upstream raw materials:

1-methyl-1H-imidazole

α-bromoacetophenone

1,3-dimethylbarbituric acid

benzaldehyde

Downstream raw materials:

diethyl hydrazodicarboxylate

triethyl 2-[(1E)-N-(ethoxycarbonyl)-2-oxo-2-phenylethanehydrazonoyl]hydrazine-1,1,2-tricarboxylate

1-(2-Hydroxy-2-phenyl-ethyl)-3-methyl-3H-imidazol-1-ium; bromide

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