3-Fluoro-4-morpholin-4-ylphenyl)carbamic Acid Benzyl Ester

(3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester

CAS No.: 168828-81-7

[Synonyms]

(3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester

(3-Fluoro-4-morpholinophenyl)carbamic Acid Benzyl Ester

[3-Fluoro-4-(4-morpholinyl)phenyl]carbamic acid phenylmethyl ester

Benzyl (3-fluoro-4-Morpholinophenyl)carbaMate

Benzyl 3-Fluoro-4-(4-Morpholinyl)phenyl)carbaMate

[Physical properties]

(1)ACD/LogP: 2.87;

(2)ACD/LogD (pH 5.5): 2.29;

(3)ACD/LogD (pH 7.4): 2.85;

(4)ACD/BCF (pH 5.5): 23.66;

(5)ACD/BCF (pH 7.4): 85.95;

(6)ACD/KOC (pH 5.5): 229.94;

(7)ACD/KOC (pH 7.4): 835.39;

(8)#H bond acceptors: 5;

(9)#H bond donors: 1;

(10)#Freely Rotating Bonds: 5;

(11)Polar Surface Area: 42.01Ų;

(12)Index of Refraction: 1.605;

(13)Molar Refractivity: 88.56 cm³;

(14)Molar Volume: 257.1 cm³;

(15)Polarizability: 35.1x10^-24cm³;

(16)Surface Tension: 53.2 dyne/cm;

(17)Enthalpy of Vaporization: 71.09 kJ/mol;

(18)Vapour Pressure: 2.36E-08 mmHg at 25°C.

(1)SMILES: O=C(OCc1ccccc1)Nc3cc(F)c(N2CCOCC2)cc3
(2)InChI: InChI=1/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
(3)InChIKey: XKGUZGHMWUIYDR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
(5)Std. InChIKey: XKGUZGHMWUIYDR-UHFFFAOYSA-N

[Uses]

3-Fluoro-4-(4-morpholinyl)phenyl]carbamic Acid Phenylmethyl Ester is an intermediate in the synthesis of Linezolid Dimer (L466520), an impurity of the antibacterial agent Linezolid (L466500).

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