559148

Ethyl (2-methylbenzoyl)acetate

97%

• Synonym(s): Ethyl 2-(2-methylbenzoyl)acetate, Ethyl 3-(2-methylphenyl)-3-oxopropanoate, Ethyl 3-oxo-3-(o-tolyl)propanoate, Ethyl o-methylbenzoylacetate, Ethyl o-toluoylacetate
• Linear Formula: CH₃C₆H₄COCH₂CO₂CH₂CH₃
• CAS Number: 51725-82-7
• Molecular Weight: 206.24
• MDL number: MFCD03424817
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879799
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.5255 (lit.)
• bp: 256-257 °C (lit.)
• density: 1.069 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CC(=O)c1ccccc1C
• InChI: 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
• InChI key: UNULPFKXRJPSCO-UHFFFAOYSA-N

Description

General description

Ethyl (2-methylbenzoyl)acetate is a β-keto ester. It undergoes Co/Mn mediated oxidative coupling reaction with various indole derivatives.

Application

Reactant for:

• Preparation of highly substituted furans by tandem condensation-cyclization reactions using bismuth triflate catalyst
• Co/Mn-mediated oxidative cross-coupling
• Enantioselective ruthenium-catalyzed hydrogenation
• Preparation of cambinol analogs for sirtuin inhibition with antitumor action

Safety Information

• Storage Class Code: 12 - Non Combustible Liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves