3'-(Benzoyloxy)-2-bromoacetophenone

Base Information

• Chemical Name: 3'-(Benzoyloxy)-2-bromoacetophenone
• CAS No.: 139-27-5
• Molecular Formula: C15H11 Br O3
• Molecular Weight: 319.155
• Hs Code.: 2916310090
• European Community (EC) Number: 634-278-5
• NSC Number: 72995
• DSSTox Substance ID: DTXSID80930270
• Wikidata: Q82905545
• Mol file: 139-27-5.mol

Synonyms:139-27-5;3'-(Benzoyloxy)-2-bromoacetophenone;APLPHA-BROMO-M-BENZOYLOXYACETOPHENONE;[3-(2-bromoacetyl)phenyl] benzoate;Ethanone,1-[3-(benzoyloxy)phenyl]-2-bromo-;3-(2-Bromoacetyl)phenyl benzoate;NSC72995;3-(Bromoacetyl)phenyl benzoate;SCHEMBL2570730;DTXSID80930270;3/'-Benzoyloxy-2-bromoacetophenone;alpha-bromo-m-benzoyloxyacetophenone;NSC-72995;AKOS022180899;2-Bromo-3'-hydroxyacetophenone benzoate;2-Bromo-3\'-hydroxyacetophenone benzoate;3'-BENZOYLOXY-2-BROMOACETOPHENONE;Ethanone, 1-[3-(benzoyloxy)phenyl]-2-bromo-

Chemical Property of 3'-(Benzoyloxy)-2-bromoacetophenone

Chemical Property:

• Boiling Point: 432.6°Cat760mmHg
• Flash Point: 215.4°C
• PSA: 43.37000
• Density: 1.466g/cm³
• LogP: 3.48340
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 317.98916
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

98%,99%, ^*data from raw suppliers

3'-BENZOYLOXY-2-BROMOACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)CBr

Technology Process of 3'-(Benzoyloxy)-2-bromoacetophenone

There total 4 articles about 3'-(Benzoyloxy)-2-bromoacetophenone 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: 62.0%

3-acetylphenyl benzoate (139-28-6) + phenyltrimethylammonium tribromide (4207-56-1) → 3-benzoyloxy-ω-bromoacetophenone (139-27-5)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Inert atmosphere;

Reference yield:

3-acetylphenyl benzoate (139-28-6) → 3-benzoyloxy-ω-bromoacetophenone (139-27-5)

Guidance literature:

With bromine;

DOI:10.1007/BF02874765

Reference yield:

3-Hydroxyacetophenone (121-71-1) → 3-benzoyloxy-ω-bromoacetophenone (139-27-5)

Guidance literature:

Multi-step reaction with 2 steps

2: bromine

With bromine;

DOI:10.1007/BF02874765

upstream raw materials:

3-acetylphenyl benzoate

3-Hydroxyacetophenone

benzoyl chloride

phenyltrimethylammonium tribromide

Downstream raw materials:

2-azido-1-(3-benzoyloxy-phenyl)-ethanone

norfenefrine

Refernces