Ethyl 4,4-difluoro-3-oxobutanoate

  Butanoic acid,4,4-difluoro-3-oxo-, ethyl ester , with cas registry number of 352-24-9, is used as pharmaceutical intermediate and also used in fine chemicals. Its IUPAC name is ethyl 4,4-difluoro-3-oxobutanoate and the systematic name is ethyl 4,4-difluoro-3-oxobutanoate . The strings converted from the molecular structure include SMILES: O=C(C(F)F)CC(=O)OCC, InChI: InChI=1/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3, InChIKey: CBDPWKVOPADMJC-UHFFFAOYAG.

  The physical properties of Butanoic acid,4,4-difluoro-3-oxo-, ethyl ester are: (1)H bond acceptors: 3; (2)H bond donors: 0; (3)Freely Rotating Bonds: 5; (4)Index of Refraction: 1.375; (5)Molar Refractivity: 31.93 cm³; (6)Molar Volume: 139.4 cm³; (7)Surface Tension: 26.7 dyne/cm; (8)Enthalpy of Vaporization: 40.65 kJ/mol; (9)Vapour Pressure: 1.49 mmHg at 25°C; (10)Refractive index: 1.407. This compound is flammable. It irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

  Butanoic acid,4,4-difluoro-3-oxo-, ethyl ester can be prepared by many other chemicals. For example, acetic acid ethyl ester reacts with difluoro-acetic acid ethyl ester using reagent of lithium diisopropylamide in the solvent of diethyl ether under the reaction temperature of -70 ℃ for 4 hours to give Butanoic acid,4,4-difluoro-3-oxo-, ethyl ester . The yield is about 82%.

  Butanoic acid,4,4-difluoro-3-oxo-, ethyl ester can also used to prepare other chemicals such as 4,4-difluoro-3-hydroxy-butyric acid ethyl ester . Butanoic acid,4,4-difluoro-3-oxo-, ethyl ester is the reactant. The reaction needs the reagent of diphenylmethylsilane and the solvent of Trifluoroacetic acid . The reaction time is 2 hours. The yield is about 74%.