Ethyl 3-hydroxy-4,4,4-trifluorobutyrate

The CAS register number of Ethyl 3-hydroxy-4,4,4-trifluorobutyrate is 372-30-5. It also can be called as Butanoic acid,4,4,4-trifluoro-3-hydroxy-, ethyl ester and the IUPAC name about this chemical is ethyl 4,4,4-trifluoro-3-hydroxybutanoate. The molecular formula about this chemical is C₆H₉F₃O₃ and molecular weight is 186.13.

Physical properties about Ethyl 3-hydroxy-4,4,4-trifluorobutyrate are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.38; (5)ACD/BCF (pH 7.4): 9.38; (6)ACD/KOC (pH 5.5): 172.83; (7)ACD/KOC (pH 7.4): 172.82; (8)#H bond acceptors: 3 #H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 35.Ų; (11)Index of Refraction: 1.378; (12)Molar Refractivity: 33.57 cm³; (13)Molar Volume: 145.3 cm³; (14)Polarizability: 13.3x10^-24cm³; (15)Surface Tension: 27.6 dyne/cm; (16)Enthalpy of Vaporization: 51.72 kJ/mol; (17)Boiling Point: 208.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0496 mmHg at 25°C.

Preparation: this chemical can be prepared by Ethyl-trifluoracetylaceton. This reaction will need reagent sodium borohydride. The yield is about 68%.

Uses of Ethyl 3-hydroxy-4,4,4-trifluorobutyrate: it can be used to produce 4,4,4-trifluoro-butane-1,3-diol. This reaction will need reagent LiAlH₄ and solvent diethyl ether with reaction time of 1 hours. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(O)CC(=O)OCC
(2)InChI: InChI=1/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
(3)InChIKey: ZWEDFBKLJILTMC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
(5)Std. InChIKey: ZWEDFBKLJILTMC-UHFFFAOYSA-N