559148

Ethyl (2-methylbenzoyl)acetate

97%

• Synonyme(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
• Formule linéaire : CH₃C₆H₄COCH₂CO₂CH₂CH₃
• Numéro CAS: 51725-82-7
• Poids moléculaire : 206.24
• Numéro MDL: MFCD03424817
• Code UNSPSC : 12352100
• ID de substance PubChem : 24879799
• Nomenclature NACRES : NA.22

Propriétés

• Pureté: 97%
• Indice de réfraction: n20/D 1.5255 (lit.)
• Point d'ébullition: 256-257 °C (lit.)
• Densité: 1.069 g/mL at 25 °C (lit.)
• Chaîne SMILES: 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
• Clé InChI: UNULPFKXRJPSCO-UHFFFAOYSA-N

Description

Description générale

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

Informations sur la sécurité

• Code de la classe de stockage: 12 - Non Combustible Liquids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Équipement de protection individuelle: Eyeshields, Gloves