559067

Ethyl (4-methylbenzoyl)acetate

• Synonym(s): Ethyl 3-(4-methylphenyl)-3-oxopropanoate, Ethyl 3-oxo-3-(4-tolyl)propionate, NSC 158544
• Linear Formula: CH₃C₆H₄COCH₂CO₂CH₂CH₃
• CAS Number: 27835-00-3
• Molecular Weight: 206.24
• MDL number: MFCD03424815
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879791
• NACRES: NA.22

Properties

• refractive index: n20/D 1.5315 (lit.)
• Quality Level: 100
• bp: 244-245 °C (lit.)
• density: 1.056 g/mL at 25 °C (lit.)
• functional group: ester; ketone
• SMILES string: CCOC(=O)CC(=O)c1ccc(C)cc1
• InChI: 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
• InChI key: GEQMJBPKCOZHMV-UHFFFAOYSA-N

Description

Application

Ethyl (4-methylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-methyl)phenylquinoxaline 1,4-dioxide.

Reactant involved in:

• Oxidative cross-coupling with indoles
• Electrophilic / nucleophilic halogenation
• Cyclization with alkynyl ketones
• Lewis base catalyzed hydrosilylation
• Stereoselective reduction
• Intramolecular Michael addition reactions

Safety Information

• Storage Class Code: 10 - 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