559059

Ethyl (4-trifluoromethylbenzoyl)acetate

• Sinônimo(s): 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
• Fórmula linear: CF₃C₆H₄COCH₂CO₂C₂H₅
• Número CAS: 106263-53-0
• Peso molecular: 260.21
• Número MDL: MFCD03424818
• Código UNSPSC: 12352100
• ID de substância PubChem: 24879790
• NACRES: NA.22

Propriedades

• índice de refração: n20/D 1.4880 (lit.)
• p.e.: 248-249 °C (lit.)
• densidade: 1.270 g/mL at 25 °C (lit.)
• cadeia de caracteres SMILES: 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
• chave InChI: HVHVSJPSNQIPEM-UHFFFAOYSA-N

Descrição

Aplicação

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

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

Informações de segurança

• Código de classe de armazenamento: 10 - Combustible liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable
• Equipamento de proteção individual: Eyeshields, Gloves