Benzenamine,4-fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]- (70627-52-0)

The n-(4-(Benzyloxy)benzylidene)-4-fluoroaniline, with the CAS register number 70627-52-0, has other names as 4-benzyloxybenzylidene-(4-fluoro)aniline; 4-(4-benzyloxybenzylidene)fluoroaniline; n-(4-(benzyloxy)benzylidene)-4-fluorobenzenamine; 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]benzenamine; n-(4-(benzyloxy)benzylidene)-4-fluoroaniline.

The physical characteristics could be summarized as: (1)ACD/LogP: 4.97; (2)#Hbondacceptors: 2; (3)#FreelyRotatingBonds: 5; (4)PolarSurfaceArea: 21.59; (5)IndexofRefraction: 1.558; (6)MolarRefractivity: 91.38cm³; (7)MolarVolume: 283cm³; (8)Polarizability: 36.22 ×10^-24 cm³; (9)SurfaceTension: 37.6dyne/cm; (10)Density: 1.07g/cm³; (11)FlashPoint: 229.1°C; (12)EnthalpyofVaporization: 68.75kJ/mol; (13)BoilingPoint: 455.2°Cat760mmHg; (14)VapourPressure: 4.83E-08mmHgat25°C.

This is a kind of light yellow flaky crystal. As to its raw materials, they are including etanol, ethyl acetate, n,n-dimethylformamide, potassium carbonate, sodium sulfate, potassium iodide, benzyl bromide, petroleum ether, p-hydroxybenzaldehyde, 4-fluoroaniline. When store it, it should be kept sealing in low temperature. As to its usage, it is widely applied in many way, mainly in pharmaceutics, such as being used in the synthesis of cardiovascular drugs Ezetimibe.

In addition, you could refer to the following data information to get the molecular structure:
(1)SMILES:Fc3ccc(\N=C\c2ccc(OCc1ccccc1)cc2)cc3
(2)InChI:InChI=1/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2/b22-14+
(3)InChIKey:IWNBEFDVKWCBFY-HYARGMPZBF