Ethyl 2,3,4,5-tetrafluorobenzoyl acetate

This chemical is called Ethyl 2,3,4,5-tetrafluorobenzoyl acetate, and its systematic name is ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate. With the molecular formula of C₁₁H₈F₄O₃, its CAS registry number is 94695-50-8. Additionally, its product categories are Acetics Acid and Esters; Benzoic Acid.

Other characteristics of the Ethyl 2,3,4,5-tetrafluorobenzoyl acetate can be summarised as followings: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 10.22; (7)ACD/KOC (pH 5.5): 183.87; (8)ACD/KOC (pH 7.4): 183.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 51.92 cm³; (15)Molar Volume: 190.8 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.384 g/cm³; (19)Flash Point: 123.3 °C; (20)Enthalpy of Vaporization: 52.59 kJ/mol; (21)Boiling Point: 286.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00259 mmHg at 25°C.

Production method of this chemical: The Ethyl 2,3,4,5-tetrafluorobenzoyl acetate could be obtained by the reactants of malonic acid monoethyl ester and 2,3,4,5-tetrafluorobenzoyl chloride. This reaction needs the reagent of biquinoline, n-butyllithium. 

Uses of this chemical: The Ethyl 2,3,4,5-tetrafluorobenzoyl acetate could react with 1-methyl-piperazine, and obtain the ethyl 2,3,5-trifluoro-4-(4-methyl-1-πperazinyl)benzoylacetate. This reaction needs the reagent of NaHCO₃, and the solvent of acetonitrile. The yield is 88 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

 

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1c(cc(F)c(F)c1F)C(=O)CC(=O)OCC
2.InChI: InChI=1/C11H8F4O3/c1-2-18-8(17)4-7(16)5-3-6(12)10(14)11(15)9(5)13/h3H,2,4H2,1H3
3.InChIKey: KWDVJYLIAJHEOW-UHFFFAOYAZ