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1215071-17-2

1215071-17-2 Structure

1215071-17-2 Structure
IdentificationBack Directory
[Name]

tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate
[CAS]

1215071-17-2
[Synonyms]

EOS-61163
N-Boc-3,3-difluoropiperidin-4-one
1-Boc-3,3-difluoro-4-oxo-piperidine
N-t-BOC-5,5-Difluoro-4-Piperidinone
3,3-difluoro-4-oxopiperidine-1- carboxylate
tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate
1-(tert-Butyloxycarbonyl)-3,3-difluoro-4-oxopiperidine
tert-Butyl 3,3-difluoro-4-oxopiperidin-1-carboxylate hydrate
tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate
3,3-Difluoro-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-diMethylethyl ester
[Molecular Formula]

C10H15F2NO3
[MDL Number]

MFCD19443979
[MOL File]

1215071-17-2.mol
[Molecular Weight]

235.23
Chemical PropertiesBack Directory
[Boiling point ]

274.7±40.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

-5?+-.0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-6H2,1-3H3
[InChIKey]

GDZBFUOJMJSIAZ-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(=O)C(F)(F)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate(1215071-17-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

1-Benzyl-3,3-difluoropiperidin-4-one

1039741-54-2

tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate

1215071-17-2

Di-tert-butyl dicarbonate (1.19 g, 5.44 mmol) was slowly added to a solution of 1-benzyl-3,3-difluoropiperidin-4-one (995 mg, 4.42 mmol) dissolved in anhydrous ethanol (60 mL) under nitrogen protection. Subsequently, 20% palladium hydroxide/carbon catalyst (148 mg, 1.05 mmol) was added, and the reaction system was evacuated and displaced three times with hydrogen. The reaction mixture was stirred at room temperature and under hydrogen atmosphere for 20 hours. After completion of the reaction, residual hydrogen was removed and the reaction mixture was filtered through diatomaceous earth (Celite) and the filter cake was washed well with anhydrous ethanol. After purification, the target product tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate (810 mg, 3.44 mmol, 78% yield) was obtained as a white solid.1H NMR (400 MHz, DMSO-d6): δ 3.66-3.52 (m, 2H), 3.39-3.33 (m, 2H), 1.69-1.64 (m, 2H) , 1.38 (s, 9H).

[References]

[1] Patent: WO2017/103611, 2017, A1. Location in patent: Paragraph 00447
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