Methyl 2-benzoylbenzoate

Base Information

• Chemical Name: Methyl 2-benzoylbenzoate
• CAS No.: 606-28-0
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• Hs Code.: 2918.30
• European Community (EC) Number: 210-112-3
• NSC Number: 3797
• UNII: XUP7S9NT59
• DSSTox Substance ID: DTXSID2060549
• Nikkaji Number: J36.119D
• Wikidata: Q69757993
• ChEMBL ID: CHEMBL3629239
• Mol file: 606-28-0.mol

Synonyms:methyl 2-benzoylbenzoate

Chemical Property of Methyl 2-benzoylbenzoate

Chemical Property:

• Appearance/Colour: Solid.
• Vapor Pressure: 0Pa at 20℃
• Melting Point: 48-53 °C(lit.)
• Refractive Index: 1.5740 (estimate)
• Boiling Point: 351.5 °C at 760 mmHg
• Flash Point: 154.4 °C
• PSA: 43.37000
• Density: 1.169 g/cm³
• LogP: 2.70420
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Insoluble in water
• Water Solubility.: 117.7mg/L at 20℃
• XLogP3: 2.7
• 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

Methyl 2-Benzoylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
• Uses: Methyl 2-benzoylbenzoate is used as an anti-ultraviolet absorber and a preservative for food and beverages.

Technology Process of Methyl 2-benzoylbenzoate

There total 41 articles about Methyl 2-benzoylbenzoate 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: 99.2%

3-methoxy-3-phenyl-phthalide (7335-63-9) → methyl o-benzoylbenzoate (606-28-0)

Guidance literature:

With methanesulfonic acid; In toluene; for 6h; Reflux;

Reference yield: 98.0%

tert.-butylhydroperoxide (75-91-2) + 2-Benzoylbenzoic acid (85-52-9) → methyl o-benzoylbenzoate (606-28-0)

Guidance literature:

With copper quinolate; In water; dimethyl sulfoxide; at 120 ℃; for 24h;

DOI:10.1021/jo4016387

Reference yield: 87.0%

carbon monoxide (201230-82-2) + o-iodo-methyl-benzoic acid (610-97-9) + triphenylbismuthane (603-33-8) → methyl o-benzoylbenzoate (606-28-0)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 80 ℃; for 5h; under 760.051 Torr; Green chemistry;

DOI:10.1021/acs.joc.6b00570

upstream raw materials:

diazomethane

2-Benzoylbenzoic acid

methanol

2-benzoylbenzoyl chloride

Downstream raw materials:

ethyl 2-benzoylbenzoate

3,3-diphenyl-2-benzofuran-1(3H)-one

1-hydroxy-1,3,3-triphenylphthalan

o-dibenzoylbenzene