2-Oxo-indoline-4-carboxylicacid
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2-Oxo-indoline-4-carboxylicacid
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CAS No:
90322-37-5
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Formula:
C9H7NO3
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Chemical Name:
2-Oxo-indoline-4-carboxylicacid
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Synonyms:
4-Carboxyoxindole;4-Carboxyl-2-oxindole;2-Oxo-indoline-4-carboxylic acid;2,3-Dihydro-2-oxo-1H-indole-4-carboxylic acid
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CAS No:
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Oxo-indoline-4-carboxylicacid Use and Manufacturing
Into a 50-mL round-bottom flask, was placed methyl 2-oxo-2, 3-dihydro-lH-indole-4-carboxylate (150 mg, 0.78 mmol, 1.00 equiv), methanol (2 mL), tetrahydrofuran (8 mL), a solution of LiOH (150.8 mg, 6.30 mmol, 8.00 equiv) in water(5 mL). The resulting solution was stirred overnight at 25 °C. The resulting solvent was concentrated under vacuum. The residue was diluted with water (20 mL) and washed with ethyl acetate (30 mL). HC1 (1 mol/L) was employed to adjust the pH to 6. The resulting solution was extracted with 2x40 mL of ethyl acetate, dried over anhydrous sodium sulfate and concentrated to give 85 mg (61percent) of 2-oxo-2, 3-dihydro-lH-indole-4-carboxylic acid as a light brown solid. MS (ES, m/z) [M+H]+: 178.Dimethyl 2-methoxycarbonyl-6-nitrophenylmalonate (3.0 g) was refluxed in 50 mL of 6 N hydrochloric acid overnight. Dimethyl 2-methoxycarbonyl-6-nitrophenylmalonate (3.0 g) was refluxed in 50 ML of 6 N hydrochloric acid overnight..
Computed Properties
Molecular Weight:177.16
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:66.4
Heavy Atom Count:13
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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