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Basic Information
CAS No.: 26893-17-4
Name: ETHYL 8-CHLORO[1,3]DIOXOLO[4,5-G]QUINOLINE-7-CARBOXYLATE
Article Data: 10
Molecular Structure:
Molecular Structure of 26893-17-4 (ETHYL 8-CHLORO[1,3]DIOXOLO[4,5-G]QUINOLINE-7-CARBOXYLATE)
Formula: C13H10ClNO4
Molecular Weight: 279.68
Synonyms: 8-Chloro-[1,3]dioxolo[4,5-g]quinoline-7-carboxylicacid ethyl ester
Density: 1.439 g/cm3
Boiling Point: 392.2 °C at 760 mmHg
Flash Point: 191 °C
PSA: 57.65000
LogP: 2.79360
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Specification

The CAS register number of 1,3-Dioxolo[4,5-g]quinoline-7-carboxylicacid, 8-chloro-, ethyl ester is 26893-17-4. The systematic name about this chemical is ethyl 8-chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxylate. The molecular formula about this chemical is C13H10ClNO4 and the molecular weight is 279.6797. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed.

Physical properties about 1,3-Dioxolo[4,5-g]quinoline-7-carboxylicacid, 8-chloro-, ethyl ester are: (1)ACD/LogP: 2.99; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 57.65 Å2; (5)Index of Refraction: 1.635; (6)Molar Refractivity: 69.64 cm3; (7)Molar Volume: 194.3 cm3; (8)Polarizability: 27.61x10-24cm3; (9)Surface Tension: 60.1 dyne/cm; (10)Density: 1.439 g/cm3; (11)Flash Point: 191 °C; (12)Enthalpy of Vaporization: 64.19 kJ/mol; (13)Boiling Point: 392.2 °C at 760 mmHg; (14)Vapour Pressure: 2.34E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by diethyl [(3,4-methylenedioxyanilino)methylene]malonate. This reaction will need reagents of phosphorous oxychloride, polyphosphoric acid. This reaction needs heating. The reaction time is 1 hour. The yield is about 89.4%.

1,3-Dioxolo[4,5-g]quinoline-7-carboxylicacid, 8-chloro-, ethyl ester can be prepared by diethyl [(3,4-methylenedioxyanilino)methylene]malonate.

Uses of 1,3-Dioxolo[4,5-g]quinoline-7-carboxylicacid, 8-chloro-, ethyl ester: it can be used to produce 8-(2-hydroxy-ethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid ethyl ester with 2-amino-ethanol. This reaction will need solvent of ethanol. This reaction needs heating. The reaction time is 30 mins. The yield is about 88%.

1,3-Dioxolo[4,5-g]quinoline-7-carboxylicacid, 8-chloro-, ethyl ester can be used to produce 8-(2-hydroxy-ethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid ethyl ester with 2-amino-ethanol.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c3c(ncc1C(=O)OCC)cc2OCOc2c3
(2)InChI: InChI=1/C13H10ClNO4/c1-2-17-13(16)8-5-15-9-4-11-10(18-6-19-11)3-7(9)12(8)14/h3-5H,2,6H2,1H3
(3)InChIKey: IQDOHPSCFUSFGJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C13H10ClNO4/c1-2-17-13(16)8-5-15-9-4-11-10(18-6-19-11)3-7(9)12(8)14/h3-5H,2,6H2,1H3
(5)Std. InChIKey: IQDOHPSCFUSFGJ-UHFFFAOYSA-N