ChemicalBook--->CAS DataBase List--->84331-14-6

84331-14-6

84331-14-6 Structure

84331-14-6 Structure
IdentificationBack Directory
[Name]

Ethanone, 1-(6-fluoro-3-pyridinyl)- (9CI)
[CAS]

84331-14-6
[Synonyms]

5-Acetyl-2-fluoropyridine
5-Acethyl-2-fluoropyridine
1-(6-Fluoro-3-pyridyl)ethanone
1-(6-Fluoro-3-pyridinyl)-ethanone
Ethanone, 1-(6-fluoro-3-pyridinyl)-
1-(6-Fluoropyridin-3-yl)ethanone 95+%
Ethanone, 1-(6-fluoro-3-pyridinyl)- (9CI)
Ethanone, 1-(6-fluoro-3-pyridinyl)- (9CI) ISO 9001:2015 REACH
[Molecular Formula]

C7H6FNO
[MDL Number]

MFCD07375076
[MOL File]

84331-14-6.mol
[Molecular Weight]

139.13
Chemical PropertiesBack Directory
[Boiling point ]

246.7±20.0℃ (760 Torr)
[density ]

1.175±0.06 g/cm3 (20 ºC 760 Torr)
[Fp ]

103.0±21.8℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-2.23±0.10(Predicted)
[Appearance]

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


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

Ethanone, 1-(6-fluoro-3-pyridinyl)- (9CI)(84331-14-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Pyridinecarboxamide, 6-fluoro-N-methoxy-N-methyl-

774239-06-4

Methylmagnesium Bromide

75-16-1

Ethanone, 1-(6-fluoro-3-pyridinyl)- (9CI)

84331-14-6

To a cold solution (-78°C) of 6-fluoro-N-methoxy-N-methylnicotinamide (Method 38, 7.2 g, 39 mmol) in tetrahydrofuran (130 mL) was added slowly and dropwise methylmagnesium bromide (20 mL, 59 mmol, 3 M ether solution). The cooling bath was removed and the reaction mixture was allowed to gradually warm to room temperature with continuous stirring for 2 hours. Upon completion of the reaction, the reaction was quenched with 3 N hydrochloric acid solution and the layers were separated. The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3.8 g of 2-fluoro-5-acetylpyridine in 70% yield. The product was characterized by 1H NMR (CDCl3): δ 8.80 (s, 1H), 8.29-8.43 (m, 1H), 6.98-7.06 (m, 1H), 2.62 (s, 3H).

[References]

[1] Patent: WO2006/82392, 2006, A1. Location in patent: Page/Page column 116
[2] Patent: US2017/313683, 2017, A1. Location in patent: Paragraph 1251-1252
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