CAS No.141761-83-3,6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141761-83-3
Name:	6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester
Article Data:	3

Formula:	C₁₁H₁₀ClNO₄
Molecular Weight:	255.658
Synonyms:	6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester;6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-2H-1,4-Benzoxazine-8-CarboxylicAcidMethlyEster;
EINECS:	1533716-785-6
Density:	1.384g/cm³
Boiling Point:	498.8 °C at 760 mmHg
Flash Point:	255.5 °C
PSA:	55.84000
LogP:	1.54680

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Specification

The 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester, whose systematic name is methyl 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate. And it is also named 2H-1,4-benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-, methyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.84 Å²; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 60.49 cm³; (9)Molar Volume: 184.7 cm³; (10)Polarizability: 23.98×10^-24cm³; (11)Surface Tension: 47.6 dyne/cm; (12)Enthalpy of Vaporization: 76.7 kJ/mol; (13)Vapour Pressure: 4.4E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid methyl ester with iodomethane. This reaction will need reagent K2CO3 and solvent dimethylformamide. The yield is about 82.2%.

Uses of 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester: it can be used to produce 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid. This reaction will need reagent 5percent NaOH and solvent ethanol with reaction time of 3 hours. The yield is about 81.5%.

You can still convert the following datas into molecular structure:
(1)SMILES:Clc2cc(c1OCC(=O)N(c1c2)C)C(=O)OC;
(2)InChI:InChI=1/C11H10ClNO4/c1-13-8-4-6(12)3-7(11(15)16-2)10(8)17-5-9(13)14/h3-4H,5H2,1-2H3;
(3)InChIKey:KZFHRCILXZTJNB-UHFFFAOYAI;
(4)Std. InChI:InChI=1S/C11H10ClNO4/c1-13-8-4-6(12)3-7(11(15)16-2)10(8)17-5-9(13)14/h3-4H,5H2,1-2H3;
(5)Std. InChIKey:KZFHRCILXZTJNB-UHFFFAOYSA-N.