6,7-Dihydro-5H-quinolin-8-one
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6,7-Dihydro-5H-quinolin-8-one
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CAS No:
56826-69-8
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Formula:
C9H9NO
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Chemical Name:
6,7-Dihydro-5H-quinolin-8-one
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Synonyms:
AKOS BB-8709;6,7-DIHYDRO-5H-QUINOLIN-8-ONE;6,7-DIHYDRO-5H-QUINOLINE-8-ONE;6,7-DIHYDROQUINOLIN-8(5H)-ONE;6,7-DIHYDRO-5H-QUINOLIN-8-ONE,99+%;6,7-dihydro-5H-quinolin-8-one98%+,;5,6,7,8-tetrahydroquinolin-8-one;8(5H)-Quinolinone, 6,7-dihydro-
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CAS No:
Characteristics
30
1.3
1.2±0.1 g/cm3
96-98 °C(Solv: isopropyl ether (108-20-3))
287.4°C at 760 mmHg
135.2±26.1 °C
1.569
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.
6,7-Dihydro-5H-quinolin-8-one Use and Manufacturing
To a stirred solution of 8-hydroxy-5, 6, 7, 8-tetrahydroquinoline (13.96 g, 93.6 mmol) in dry CH2Cl2 (400 mL) was added activated manganese dioxide (85percent purity, 82.22 g, 804 mmol). The resulting heterogeneous mixture was stirred 18 h, at which point the black slurry was filtered through a cake of celite and washed with CH2Cl2 (3.x.50 mL). The combined washings were concentrated to afford 11.27 g (82percent) of the title compound as a pale yellow solid, which was used in subsequent reactions without further purification. 1H NMR (CDCl3) δ 2.17-2.25 (m, 2H), 2.82 (t, 2H, J=7 Hz), 3.04 (t, 2H, J=6 Hz), 7.37 (dd, 1H, J=9, 6 Hz), 7.66 (dd, 1H, J=9, 1 Hz), 8.71 (dd, 1H, J=6, 1 Hz); 13C NMR (CDCl3) δ 22.2, 28.6, 39.2, 126.6, 137.3, 140.5, 147.6, 148.6, 196.5. ES-MS m/z 148 (M+H).
Computed Properties
Molecular Weight:147.17
XLogP3:1.3
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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