Identification | Back Directory | [Name]
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester | [CAS]
39497-01-3 | [Synonyms]
Methyl 2-Oxo-1H-quinoline-4-carboxylate Methyl 2-oxo-1,2-dihydroquinoline-4-carboxylate 4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester | [Molecular Formula]
C11H9NO3 | [MDL Number]
MFCD01013783 | [MOL File]
39497-01-3.mol | [Molecular Weight]
203.19 |
Chemical Properties | Back Directory | [storage temp. ]
Inert atmosphere,Room Temperature | [Appearance]
White to light brown Solid | [InChI]
InChI=1S/C11H9NO3/c1-15-11(14)8-6-10(13)12-9-5-3-2-4-7(8)9/h2-6H,1H3,(H,12,13) | [InChIKey]
VVZNRIXRLYHAKG-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC=C2)C(C(OC)=O)=CC1=O |
Spectrum Detail | Back Directory | [Spectrum Detail]
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester(39497-01-3)MS 4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester(39497-01-3)1HNMR 4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester(39497-01-3)IR1 4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, Methyl ester(39497-01-3)IR2
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Hazard Information | Back Directory | [Synthesis]
Example II Synthesis of 2-quinoline triazole derivatives: 2-hydroxyquinoline-4-carboxylic acid (500 mg, 2.65 mmol) was suspended in anhydrous methanol and concentrated sulfuric acid (96%, 40 drops) was added slowly. The reaction mixture was heated to reflux until the solution became clear. Stirring was continued under reflux conditions for 18 hours (the reaction was monitored by LC-MS until the starting material disappeared completely). Upon completion of the reaction, it was cooled to room temperature and a white precipitate was precipitated. The precipitate was collected by filtration and washed with diethyl ether to give a white solid product in 70% yield (0.38 g). The product was characterized by 1H NMR (DMSO, INOVA-400): δ 3.91 (s, 3H), 6.88 (d, 1H, J = 1.6 Hz), 7.22 (td, 1H, Jt = 7.5 Hz, 0.8 Hz), 7.35 (d, 1H, J = 8.4 Hz), 7.55 (td, 1H, Jt = 7.2 Hz). | [References]
[1] Patent: WO2012/6068, 2012, A2. Location in patent: Page/Page column 64-65 [2] Patent: WO2006/66584, 2006, A1. Location in patent: Page/Page column 19 [3] Chemistry - A European Journal, 2009, vol. 15, # 24, p. 5950 - 5955 [4] Patent: WO2007/9250, 2007, A1. Location in patent: Page/Page column 40 |
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BePharm Ltd
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Rhawn Reagent
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3A Chemicals
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