2H-1,4-Benzoxazine-8-carboxylicacid, 6-chloro-3,4-dihydro-3-oxo-, methyl ester (123040-75-5)

The CAS register number of 6-Chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester is 123040-75-5. It also can be called as 2H-1,4-Benzoxazine-8-carboxylicacid, 6-chloro-3,4-dihydro-3-oxo-, methyl ester and the systematic name about this chemical is methyl 6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate. The molecular formula about this chemical is C₁₀H₈ClNO₄ and molecular weight is 241.63. It belongs to the Intermediate of azasetron hcl.

Physical properties about 6-Chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.1; (5)ACD/BCF (pH 7.4): 18.1; (6)ACD/KOC (pH 5.5): 276.63; (7)ACD/KOC (pH 7.4): 276.6; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 64.63Ų; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 55.56 cm³; (14)Molar Volume: 169.6 cm³; (15)Polarizability: 22.02x10^-24cm³; (16)Surface Tension: 48.2 dyne/cm; (17)Enthalpy of Vaporization: 71.05 kJ/mol; (18)Boiling Point: 451.5 °C at 760 mmHg; (19)Vapour Pressure: 2.42E-08 mmHg at 25°C.

Uses of 6-Chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester: it can be used to produce 6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid at heating. This reaction will need reagent 5percent NaOH and solvent ethanol with reaction time of 3 hours. The yield is about 86.2%.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(Cl)cc2NC(=O)COc12
(2)InChI: InChI=1/C10H8ClNO4/c1-15-10(14)6-2-5(11)3-7-9(6)16-4-8(13)12-7/h2-3H,4H2,1H3,(H,12,13)
(3)InChIKey: GDSWKMQEDQRHLC-UHFFFAOYAM