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| | 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester Basic information |
| Product Name: | 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester | | Synonyms: | ETHYL 6-BROMO-4-HYDROXY-3-QUINOLINECARBOXYLATE;ETHYL 6-BROMO-4-HYDROXYQUINOLINE-3-CARBOXYLATE;BUTTPARK 21\09-49;4-Hydroxy-6-broMoquinoline-3-carboxylic acid ethyl ester;Ethyl 4-hydroxy-6-broMoquinoline-3-carboxylate;6-Bromo-3-(ethoxycarbonyl)-4-hydroxyquinoline, 6-Bromo-3-(ethoxycarbonyl)-4-hydroxy-1-azanaphthalene;3-QUINOLINECARBOXYLICACID, 6-BROMO-4-HYDROXY-, ETHYL ESTER (RELATED REFERENCE);6-bromo-4-hydroxyquinoL | | CAS: | 122794-99-4 | | MF: | C12H10BrNO3 | | MW: | 296.12 | | EINECS: | | | Product Categories: | | | Mol File: | 122794-99-4.mol |  |
| | 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester Chemical Properties |
| Melting point | 326-329°C | | Boiling point | 385.5±37.0 °C(Predicted) | | density | 1.593 | | storage temp. | Inert atmosphere,Room Temperature | | pka | 2.16±0.50(Predicted) | | form | solid | | Appearance | White to light brown Solid | | InChI | InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15) | | InChIKey | IVZIOBTVAJBBAS-UHFFFAOYSA-N | | SMILES | N1C2C(=CC(Br)=CC=2)C(O)=C(C(OCC)=O)C=1 |
| Hazard Codes | Xi | | Risk Statements | 36 | | Safety Statements | 26 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2933499090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 |
| | 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester Usage And Synthesis |
| Synthesis | The general procedure for the synthesis of ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate from diethyl 2-(((4-bromophenyl)amino)methylene)malonate was as follows: intermediate 3c (330 mg, 0.879 mmol) was transferred to a microwave reaction tube and dissolved in 2 mL diphenyl ether. The reaction was carried out at 250 °C with microwave radiation for 5 min. After completion of the reaction, petroleum ether was added and the precipitate precipitated was collected by filtration. The resulting product was confirmed as ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate in quantitative yield by 1H-NMR analysis. | | References | [1] Patent: WO2009/40377, 2009, A2. Location in patent: Page/Page column 19
[2] Patent: WO2016/10869, 2016, A2. Location in patent: Page/Page column 16
[3] Patent: WO2017/11363, 2017, A1. Location in patent: Page/Page column 16
[4] ACS Medicinal Chemistry Letters, 2017, vol. 8, # 3, p. 350 - 354
[5] European Journal of Medicinal Chemistry, 2014, vol. 79, p. 413 - 421 |
| | 6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester Preparation Products And Raw materials |
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