2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone
• CAS No.: 110668-69-4
• Molecular Formula: C11H9BrN2O
• Molecular Weight: 265.109
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70601826
• Wikidata: Q82498659
• Mol file: 110668-69-4.mol

Synonyms:110668-69-4;2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone;2-Bromo-1-(4-imidazol-1-ylphenyl)ethanone;2-BROMO-4'-(IMIDAZOL-1-YL)ACETOPHENONE;2-Bromo-1-[4-(1H-imidazol-1-yl)phenyl]ethanone;2-Bromo-1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-one;2-Bromo-1-(4-imidazol-1-yl-phenyl)-ethanone;Ethanone,2-bromo-1-[4-(1H-imidazol-1-yl)phenyl]-;SCHEMBL655149;DTXSID70601826;AKOS016006212;AB27180;DA-15533;A802232;2-BROMO-1-[4-(IMIDAZOL-1-YL)PHENYL]ETHANONE;2-Bromo-4 inverted exclamation mark -(imidazol-1-yl)acetophenone

Chemical Property of 2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone

Chemical Property:

• Refractive Index: 1.632
• Boiling Point: 405 °C at 760 mmHg
• PKA: 4.97±0.10(Predicted)
• Flash Point: 198.7 °C
• PSA: 34.89000
• Density: 1.48 g/cm³
• LogP: 2.44990
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• 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

2-Bromo-4’-(imidazol-1-yl)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)N2C=CN=C2
• Uses: An imidazole derivative as CB 1 receptor inverse agonist.

Technology Process of 2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone

There total 2 articles about 2-Bromo-1-(4-imidazol-1-yl-phenyl)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: 57.0%

4'-(imidazol-1-yl)acetophenone (10041-06-2) → 1-(4-(1H-imidazol-1-yl)phenyl)-2-bromoethanone (110668-69-4)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; In water; at 0 - 20 ℃;

DOI:10.1016/j.cclet.2016.10.021

Reference yield:

→ 1-(4-(1H-imidazol-1-yl)phenyl)-2-bromoethanone (110668-69-4)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; at 20 ℃; for 6h;

Reference yield: 56.0%

1-(4-(1H-imidazol-1-yl)phenyl)-2-bromoethanone (110668-69-4) + p-anisidine urea (1566-42-3) → [4-(4-imidazol-1-ylphenyl)oxazol-2-yl]-(4-methoxyphenyl)amine (810662-97-6)

Guidance literature:

In N,N-dimethyl-formamide; at 85 - 90 ℃; for 24h; Sealed tube;

upstream raw materials:

4'-(imidazol-1-yl)acetophenone

Downstream raw materials:

C₂₈H₃₄N₄O₃

[4-(4-imidazol-1-ylphenyl)oxazol-2-yl]-(4-methoxyphenyl)amine