6-chloroisoquinolin-1(2H)-one Chemical Properties

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

Safety Information

HS Code 

2933499090

6-chloroisoquinolin-1(2H)-one Usage And Synthesis

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

6-chloroisoquinolin-1(2H)-one(131002-09-0)Related Product Information

• 6-methylisoquinolin-1(2H)-one
• 5-(TRIFLUOROMETHYL)-1(2H)-ISOQUINOLINONE
• 1(2H)-Isoquinolinone,6-fluoro-(9CI)
• 1-Hydroxycyclopentanecarboxylic acid.
• Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate