Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

The Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate, with the CAS registry number 304693-64-9, is also known as 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester. This chemical's molecular formula is C₈H₇F₃N₂O₂ and molecular weight is 220.1486. What's more, its IUPAC name is Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110; (8)ACD/KOC (pH 7.4): 110; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 43.821 cm³; (15)Molar Volume: 163.791 cm³; (16)Polarizability: 17.372×10^-24 cm³; (17)Surface Tension: 34.657 dyne/cm; (18)Density: 1.344 g/cm³; (19)Flash Point: 71.349 °C; (20)Enthalpy of Vaporization: 43.056 kJ/mol; (21)Boiling Point: 194.365 °C at 760 mmHg; (22)Vapour Pressure: 0.443 mmHg at 25 °C.

Preparation of Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate: this chemical is prepared by reaction of Ethyl 3-N, N-dimethylamino-2-formylacrylate with 2, 2, 2-Trifluoro-acetamidine by heating. The reaction needs solvent Ethanol. The reaction time is 3 hours. The yield is about 44 %.

Uses of Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate: it is used to produce other chemicals. For example, it is used to produce 2-Trifluoromethyl-pyrimidine-5-carboxylic acid. The reaction needs reagent aq. NaOH and solvent Tetrahydrofuran. The yield is about 87 %.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ncc(cn1)C(=O)OCC
(2) InChI: InChI=1/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
(3) InChIKey: LRUCUGOOQHJEQP-UHFFFAOYAO