ChemicalBook--->CAS DataBase List--->1015070-56-0

1015070-56-0

1015070-56-0 Structure

1015070-56-0 Structure
IdentificationBack Directory
[Name]

6-BroMoisoquinolin-4-ol
[CAS]

1015070-56-0
[Synonyms]

6-BroMoisoquinolin-4-ol
4-Isoquinolinol, 6-bromo-
[Molecular Formula]

C9H6BrNO
[MDL Number]

MFCD18257891
[MOL File]

1015070-56-0.mol
[Molecular Weight]

224.05
Chemical PropertiesBack Directory
[Boiling point ]

476.4±25.0 °C(Predicted)
[density ]

1.705±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

4.79±0.40(Predicted)
[Appearance]

Light brown to brown Solid
Spectrum DetailBack Directory
[Spectrum Detail]

6-BroMoisoquinolin-4-ol(1015070-56-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

4(1H)-Isoquinolinone, 6-bromo-2,3-dihydro-2-(phenylsulfonyl)-

1235382-79-2

6-BroMoisoquinolin-4-ol

1015070-56-0

General procedure for the synthesis of 6-bromo-4-hydroxyisoquinoline from the compound (CAS: 1235382-79-2): 6-bromo-2-(phenylsulfonyl)-2,3-dihydroisoquinolin-4(1H)-one was first prepared from 4-bromobenzyl bromide with reference to the method reported in Tetrahedron 61 (2005) 8282 (29 g, 79.2 mmol ). The product was then suspended in ethanol (300 mL). To this suspension was added 21% sodium ethoxide/ethanol solution (88.6 mL, 238 mmol) and the reaction was stirred for 1 hour at room temperature. Upon completion of the reaction, 5 M hydrochloric acid (~50 mL) was added to the reaction solution for neutralization, followed by removal of ethanol by distillation under reduced pressure. The precipitated solid precipitate was collected by filtration. The resulting solid was dried and purified by silica gel column chromatography (eluent: dichloromethane/methanol, gradient from 100:0 to 50:50, v/v), resulting in the target product 6-bromo-4-hydroxyisoquinoline (13.2 g, 75% yield).1H-NMR (DMSO-d6) δ: 7.79 (1H, dd, J = 8.7, 1.8 Hz),. 8.03 (1H, d, J = 8.7 Hz), 8.11 (1H, s), 8.25-8.27 (1H, m), 8.82 (1H, s), 10.62 (1H, s).

[References]

[1] Patent: EP2380878, 2011, A1. Location in patent: Page/Page column 30
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