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27568-04-3

27568-04-3 Structure

27568-04-3 Structure
IdentificationBack Directory
[Name]

4-HYDROXY-8-METHOXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
[CAS]

27568-04-3
[Synonyms]

NSC 196905
BUTTPARK 20\09-65
ETHYL 4-HYDROXY-8-METHOXY-3-QUINOLINECARBOXYLATE
ETHYL 4-HYDROXY-8-METHOXYQUINOLINE-3-CARBOXYLATE
ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate
2-ethyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylate
Ethyl 1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylate
Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
4-keto-8-methoxy-1H-quinoline-3-carboxylic acid ethyl ester
4-HYDROXY-8-METHOXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
3-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester
4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl ester ,95%
4-HYDROXY-8-METHOXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER ISO 9001:2015 REACH
[EINECS(EC#)]

803-472-3
[Molecular Formula]

C13H13NO4
[MDL Number]

MFCD00173382
[MOL File]

27568-04-3.mol
[Molecular Weight]

247.25
Chemical PropertiesBack Directory
[Boiling point ]

373.2±37.0 °C(Predicted)
[density ]

1.277
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

2.72±0.50(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

1S/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15)
[InChIKey]

HCYNWEIHLHVPEW-UHFFFAOYSA-N
[SMILES]

CCOC(=O)c1cnc2c(OC)cccc2c1O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26-24/25
[WGK Germany ]

3
[HS Code ]

29334900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Anisidonemethylenemalonic acid diethyl ester
Hazard InformationBack Directory
[Chemical Properties]

Off-white solid
[Synthesis]

2-ANISIDONEMETHYLENEMALONIC ACID DIETHYL ESTER

104007-09-2

4-HYDROXY-8-METHOXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER

27568-04-3

Step B: Synthesis of ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylate: Diethyl 2-(((2-methoxyphenyl)amino)methylene)malonate (47.6 g, 162 mmol) was suspended in Dowtherm (100 mL) and heated to 250 °C. The reaction mixture was kept in a sand bath overnight, subsequently cooled to room temperature and diluted with pentane (750 mL). The resulting solid product was collected by filtration and washed with hexane to afford the target compound (25.7 g, 64% yield). Mass spectrometry analysis (APCI) showed m/z 248.0 ([M + H]+).

[References]

[1] Patent: US2007/49603, 2007, A1. Location in patent: Page/Page column 66
Spectrum DetailBack Directory
[Spectrum Detail]

4-HYDROXY-8-METHOXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER(27568-04-3)1HNMR
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