559059

Ethyl-(4-trifluormethylbenzoyl)acetat

• Synonym(e): 3-Oxo-3-(4-trifluoromethylphenyl)propanoic acid ethyl ester, Ethyl 2-4-(Trifluoromethyl)benzoylacetate, Ethyl 3-(4-trifluoromethylphenyl)-3-oxopropionate, Ethyl 3-oxo-3-4-(trifluoromethyl)phenylpropanoate
• Lineare Formel: CF₃C₆H₄COCH₂CO₂C₂H₅
• CAS-Nummer: 106263-53-0
• Molekulargewicht: 260.21
• NACRES: NA.22
• PubChem Substance ID: 24879790
• UNSPSC Code: 12352100
• MDL number: MFCD03424818

Eigenschaften

• refractive index: n20/D 1.4880 (lit.)
• bp: 248-249 °C (lit.)
• density: 1.270 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
• InChI: 1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3
• InChI key: HVHVSJPSNQIPEM-UHFFFAOYSA-N

Beschreibung

Application

Ethyl (4-trifluoromethylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-trifluoromethyl)phenylquinoxaline 1,4-dioxide and N-cyclohexyl-4-methoxy-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine.

Reactant for:

• In-catalyzed cycloisomerization
• Chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water
• Guanidine-catalyzed enantioselective Michael reactions
• Transesterification reactions
• Intermolecular coupling reactions

Sicherheitshinweise

• Lagerklasse: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• PSA (Persönliche Schutzausrüstung): Eyeshields, Gloves