| Identification | Back Directory | [Name]
6-chloroisoquinolin-1(2H)-one | [CAS]
131002-09-0 | [Synonyms]
6-chloroisoquinolin-1-ol
6-chloro-1-isoquinolinone
6-chloroisoquinolin-1(2H)-one
6-chloro-1(2H)-Isoquinolinone
6-chloro-2H-isoquinolin-1-one
1(2H)-Isoquinolinone, 6-chloro-
6-chloro-1,2-dihydroisoquinolin-1-one | [Molecular Formula]
C9H6ClNO | [MOL File]
131002-09-0.mol | [Molecular Weight]
179.6 |
| Chemical Properties | Back Directory | [Boiling point ]
430.4±45.0 °C(Predicted) | [density ]
1.339±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
12.06±0.20(Predicted) | [Appearance]
Off-white to light yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
6-Chloro-3,4-dihydro-2H-isoquinolin-1-one (181.5 mg, 1 mmol, Intermediate A-2) was used as a feedstock and mixed with DDQ (227 mg, 1 mmol) in dioxane (3 mL) and the reaction was carried out at reflux overnight. After completion of the reaction, the mixture was cooled to room temperature and treated with saturated aqueous NaHCO3 solution. Subsequently, the reaction mixture was extracted with ethyl acetate (2 x 10 mL). The organic layers were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by rapid chromatography on silica gel to afford 6-chloro-1-isoquinolinone (108 mg, 60% yield) as a white solid. Mass spectrometry (MS) analysis showed a molecular ion peak of 180.0 (M + H+). | [References]
[1] Patent: WO2013/79452, 2013, A1. Location in patent: Page/Page column 133 |
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Cool Pharm, Ltd
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