3-Acetylphenyl benzoate

Base Information

• Chemical Name: 3-Acetylphenyl benzoate
• CAS No.: 139-28-6
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• European Community (EC) Number: 634-280-6
• NSC Number: 103148
• DSSTox Substance ID: DTXSID80295598
• Nikkaji Number: J604.234A
• Wikidata: Q72440357
• ChEMBL ID: CHEMBL1880754
• Mol file: 139-28-6.mol

Synonyms:3-acetylphenyl benzoate;139-28-6;m-(Benzoyloxy)acetophenone;(3-acetylphenyl) benzoate;3'-Hydroxyacetophenone, benzoate;3-Benzoyloxyacetophenone;Ethanone,1-[3-(benzoyloxy)phenyl]-;MLS002703763;SCHEMBL2567322;CHEMBL1880754;DTXSID80295598;Benzoic acid 3-acetylphenyl ester;benzoic acid (3-acetylphenyl)ester;NSC103148;AKOS003646087;Ethanone, 1-[3-(benzoyloxy)phenyl]-;NSC-103148;SMR001570478

Chemical Property of 3-Acetylphenyl benzoate

Chemical Property:

• Appearance/Colour: light yellow to dark yellow liquid
• Vapor Pressure: 2.37E-06mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 392 °C at 760 mmHg
• Flash Point: 174.8 °C
• PSA: 43.37000
• Density: 1.175 g/cm³
• LogP: 3.10840
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

m-(Benzoyloxy)acetophenone ^*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: CC(=O)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2

Technology Process of 3-Acetylphenyl benzoate

There total 1 articles about 3-Acetylphenyl benzoate 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: 99.0%

3-Hydroxyacetophenone (121-71-1) + benzoyl chloride (98-88-4) → 3-acetylphenyl benzoate (139-28-6)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere;

Reference yield: 63.0%

3-acetylphenyl benzoate (139-28-6) + Methyltriphenylphosphonium bromide (1779-49-3) → 3-(prop-1-en-2-yl)phenyl benzoate

Guidance literature:

Methyltriphenylphosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

3-acetylphenyl benzoate; In tetrahydrofuran; at 0 - 20 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201807303

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;

upstream raw materials:

3-Hydroxyacetophenone

benzoyl chloride

Downstream raw materials:

3-benzoyloxy-ω-bromoacetophenone

benzoic acid ethyl ester

3-acetylphenoxide

N-benzoylpiperidine

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