2-Acetylphenyl benzoate

Base Information

• Chemical Name: 2-Acetylphenyl benzoate
• CAS No.: 4010-33-7
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• European Community (EC) Number: 637-039-3
• NSC Number: 31880
• DSSTox Substance ID: DTXSID20884026
• Nikkaji Number: J421.707A
• Wikidata: Q82862784
• Mol file: 4010-33-7.mol

Synonyms:2-Acetylphenyl benzoate;4010-33-7;o-Benzoyloxyacetophenone;(2-acetylphenyl) benzoate;o-Acetylphenyl benzoate;2-Bemzoylxyacetophenone;o-(Benzoyloxy)acetophenone;Ethanone, 1-[2-(benzoyloxy)phenyl]-;2-acetylphenylbenzoate;Ethanone, 1-(2-(benzoyloxy)phenyl)-;NSC 31880;DTXSID20884026;1-[2-(Benzoyloxy)phenyl]ethanone;NSC31880;Benzoic acid, o-acetylphenyl ester-;Acetophenone, 2'-hydroxy-, benzoate;MFCD00017235;NSC-31880;AKOS003496188;CS-0262508;FT-0635101;EN300-82961

Chemical Property of 2-Acetylphenyl benzoate

Chemical Property:

• Vapor Pressure: 2.92E-07mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 420 °C at 760 mmHg
• Flash Point: 188.6 °C
• PSA: 43.37000
• Density: 1.175 g/cm³
• LogP: 3.10840
• XLogP3: 2.6
• 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:

97% ^*data from raw suppliers

2-ACETYLPHENYL BENZOATE Aldrich ^*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=C1OC(=O)C2=CC=CC=C2

Technology Process of 2-Acetylphenyl benzoate

There total 25 articles about 2-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: 95.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + benzoyl chloride (98-88-4) → 2-acetylphenyl benzoate (4010-33-7)

Guidance literature:

With pyridine; at 20 ℃; for 2h;

DOI:10.1021/jo990735q

Reference yield: 92.0%

iodobenzene (591-50-4) + carbon monoxide (201230-82-2) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-acetylphenyl benzoate (4010-33-7)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl acetamide; at 80 ℃; for 10h; under 760.051 Torr;

DOI:10.1016/j.molcata.2014.12.008

Reference yield: 82.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + benzaldehyde (100-52-7) → 2-acetylphenyl benzoate (4010-33-7)

Guidance literature:

With tert.-butylhydroperoxide; copper diacetate; In water; dimethyl sulfoxide; at 80 ℃; for 6h;

DOI:10.1002/anie.201105020

upstream raw materials:

o-hydroxyacetophenone

benzoyl chloride

3-methyl-2-phenylbenzofuran

2'-benzyloxy-2-bromo-acetophenone

Downstream raw materials:

trans-1-(2-Hydroxybenzoyl)-2-(4-oxo-4H-<1>benzopyran-3-yl)-ethylen

3-benzoyl-2-furan-2-yl-chromen-4-one

2-furfurylidene-1-(2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione