1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethanone

Base Information

• Chemical Name: 1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethanone
• CAS No.: 24155-30-4
• Molecular Formula: C11H9BrN2O
• Molecular Weight: 265.109
• ChEMBL ID: CHEMBL2298629
• DSSTox Substance ID: DTXSID30534525
• Nikkaji Number: J565.872A
• Wikidata: Q82408410
• Mol file: 24155-30-4.mol

Synonyms:24155-30-4;1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethanone;1-(4-bromophenyl)-2-imidazol-1-ylethanone;1-(4-BROMOPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE;CHEMBL2298629;MFCD02068406;1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethan-1-one;1-(4-Bromophenyl)-2-(1-imidazolyl)ethanone;1-(4-Bromophenyl)-2-(1H-imidazol-1-yl)-ethanone;SCHEMBL10247467;DTXSID30534525;BDBM50535258;SY272557;A878006

Chemical Property of 1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethanone

Chemical Property:

• Melting Point: 130-132 °C(Solv: ethanol (64-17-5))
• Boiling Point: 461.38 °C at 760 mmHg
• PKA: 6.07±0.10(Predicted)
• Flash Point: 232.835 °C
• PSA: 34.89000
• Density: 1.489 g/cm³
• LogP: 2.52850
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 263.98983
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

1-(4-BROMOPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CN2C=CN=C2)Br

Technology Process of 1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethanone

There total 5 articles about 1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethanone 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: 80.0%

1H-imidazole (288-32-4) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 1-(4-Bromophenyl)-2-(1H-imidazol-1-yl)ethanone (24155-30-4) + 1-[2-(3-Bromo-phenyl)-2-oxo-ethyl]-3-[2-(4-bromo-phenyl)-2-oxo-ethyl]-3H-imidazol-1-ium; bromide

Guidance literature:

In N,N-dimethyl-formamide; at 5 - 10 ℃; for 3h;

DOI:10.1016/0223-5234(93)90110-Z

Reference yield: 55.0%

→ 1-(4-Bromophenyl)-2-(1H-imidazol-1-yl)ethanone (24155-30-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

Reference yield: 11.0%

1H-imidazole (288-32-4) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 1,3-Bis-[2-(4-bromo-phenyl)-2-oxo-ethyl]-3H-imidazol-1-ium; bromide (134071-13-9) + 1-(4-Bromophenyl)-2-(1H-imidazol-1-yl)ethanone (24155-30-4)

Guidance literature:

In N,N-dimethyl-formamide; at 5 - 25 ℃;

upstream raw materials:

1H-imidazole

para-bromophenacyl bromide

para-bromoacetophenone

Downstream raw materials:

cis-2-(4-Bromophenyl)-2-<(1H-imidazol-1-yl)methyl>-1,3-dioxolane-4-methanol

trans-2-(4-Bromophenyl)-2-<(1H-imidazol-1-yl)methyl>-1,3-dioxolane-4-methanol

1-(4-bromophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

Methanesulfonic acid (2R,4S)-2-(4-bromo-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester