5,6,7,8-TETRAHYDROQUINOLINONE-5
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5,6,7,8-TETRAHYDROQUINOLINONE-5
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CAS No:
53400-41-2
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Formula:
C9H9NO
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Chemical Name:
5,6,7,8-TETRAHYDROQUINOLINONE-5
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Synonyms:
5,6,7,8-TETRAHYDROQUINOLINONE-5;5,6,7,8-TETRAHYDRO-5-QUINOLINONE;7,8-DIHYDRO-6H-QUINOLIN-5-ONE;7,8-dihydroquinolin-5(6H)-one;5(6H)-Quinolinone, 7,8-dihydro-;5,6,7,8-Tetrahydroquinolin-5-one;7,8-Dihydroquinoline-5(6H)-one;7,8-dihydro-5(6H)-Quinoli...
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CAS No:
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5,6,7,8-TETRAHYDROQUINOLINONE-5 Use and Manufacturing
0.883 mg of Mn (OTf) 2 (0.5 molpercent), 67 mg of 5, 6, 7, 8-tetrahydroquinoline, 0.35 g of a 65percent aqueous TBHP solution, 2.5 ml of water, was added in turn to a 25 mL round bottom flask, in the air at room temperature for 24 hours, the reaction solution was extracted with 3 x 5 mL of ethyl acetate, the ethyl acetate layer was collected, dried over anhydrous sodium sulfate, filtered, evaporation of ethyl acetate, petroleum ether and ethyl acetate (5: 1, v / v) as the eluent, the product 5, 6, 7, 8-tetrahydroquinolin-5-one (56.6 mg) was isolated by silica gel column chromatography, light yellow liquid, yield 77percent.A mixture of 3-aminocyclohex-2-enone (100 mmol), 1 , 1 , 3, 3- tetraethoxypropane (1 10 mmol), and 4-methylbenzenesulfonic acid (2.91 mmol) is diluted with λ/, λ/-dimethylformamide (40 ml_) and the reaction mixture is heated at reflux for 16 h. The reaction mixture is allowed to cool to rt, neutralized with sodium bicarbonate, diluted with water (400 ml_), and is extracted with ethyl acetate (3 x 100 ml_). The combined organic layers are dried (sodium sulfate) and concentrated. The residue is purified by chromatography (10/1 petroleum ether/ethyl acetate) to provide 5, 6, 7, 8-tetrahydroquinolin-5-one in 7percent yield as a colorless oil.
Computed Properties
Molecular Weight:147.17
XLogP3:1
Hydrogen Bond Acceptor Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:30
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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