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ChemicalBook--->CAS DataBase List--->51463-15-1

51463-15-1

51463-15-1 Structure

51463-15-1 Structure
IdentificationBack Directory
[Name]

3(2H)-Isoquinolinone, 6-fluoro-
[CAS]

51463-15-1
[Synonyms]

6-Fluoroisoquinolin-3-ol
6-fluoro-2H-isoquinolin-3-one
6-Fluoroisoquinolin-3(2H)-one
6-Fluoro-3-hydroxyisoquinoline
3(2H)-Isoquinolinone, 6-fluoro-
[Molecular Formula]

C9H6FNO
[MDL Number]

MFCD11053873
[MOL File]

51463-15-1.mol
[Molecular Weight]

163.15
Chemical PropertiesBack Directory
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933499090
Spectrum DetailBack Directory
[Spectrum Detail]

3(2H)-Isoquinolinone, 6-fluoro-(51463-15-1)1HNMR
3(2H)-Isoquinolinone, 6-fluoro-(51463-15-1)19FNMR
Hazard InformationBack Directory
[Synthesis]

N-[(4-Fluorophenyl)methyl]-2,2-dimethoxyacetamide

1175272-50-0

3(2H)-Isoquinolinone, 6-fluoro-

51463-15-1

Compound B-42 (1.0 g, 6.6 mmol) was mixed with concentrated sulfuric acid (1.4 mL) and the reaction was stirred at 85 °C for 5 min. Upon completion of the reaction, the mixture was cooled to room temperature, slowly poured into ice water (40 mL) and neutralized with saturated aqueous sodium bicarbonate to pH=7-8. Subsequently, the mixture was diluted by addition of dichloromethane (100 mL) and stirred for 12 hr at 20 °C. Upon completion of the reaction, the precipitated product was collected by filtration. The resulting solid was further purified by silica gel column with eluent ratio of dichloromethane: methanol = 10:1, resulting in compound B-43 (0.9 g, 63% yield) as a yellow solid.1H-NMR (CDCl3, 400 MHz) data were as follows: δ 8.67 (s, 1H), 7.90 (q, J=8.0 Hz, 1H), 7.23 (dd, J =4.0 Hz, J=12Hz, 1H), 7.07-7.02 (m, 1H), 6.82 (s, 1H).

[References]

[1] Patent: WO2017/69980, 2017, A1. Location in patent: Paragraph 00357; 00358
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