ChemicalBook--->CAS DataBase List--->1067915-34-7

1067915-34-7

1067915-34-7 Structure

1067915-34-7 Structure
IdentificationBack Directory
[Name]

ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
[CAS]

1067915-34-7
[Synonyms]

Ethyl 1-benzyl-5,5-difluo...
Ethyl 1-benzyl-5,5-difluoro-4-oxo-piperidin-3-carboxylate
ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
Ethyl 5,5-difluoro-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylate
5,5-Difluoro-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester
3-Piperidinecarboxylic acid, 5,5-difluoro-4-oxo-1-(phenylmethyl)-, ethyl ester
[Molecular Formula]

C15H17F2NO3
[MDL Number]

MFCD16036533
[MOL File]

1067915-34-7.mol
[Molecular Weight]

297.297
Chemical PropertiesBack Directory
[Boiling point ]

365.6±42.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

6.93±0.40(Predicted)
[Appearance]

off-white to yellow solid
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate(1067915-34-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

ethyl 3-(benzyl(3-ethoxy-3-oxopropyl)aMino)-2,2-difluoropropanoate

851314-55-1

ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

1067915-34-7

The reaction system was cooled to -78 °C under nitrogen protection and n-butyllithium (BuLi, 1.6 M hexane solution, 8.52 mL, 13.64 mmol) was slowly added to a tetrahydrofuran (THF, 150 mL) solution of diisopropylamine (2.08 mL, 14.9 mmol). after 45 min, N-(3-ethoxy-2,2-difluoro-3-oxo propyl)-N-benzyl-β-alanine ethyl ester (compound W, 2.13 g, 6.2 mmol) to a solution of THF (50 mL). The cooling bath was removed and the reaction mixture was allowed to warm slowly to room temperature and stirred overnight. Upon completion of the reaction, the reaction was quenched by the addition of an aqueous solution of ammonium chloride (NH4Cl, 200 mL) and the organic and aqueous layers were separated. The aqueous phase was extracted with ethyl acetate (EtOAc, 3 x 150 mL). All organic layers were combined, washed with saturated brine and dried over anhydrous sodium sulfate (Na2SO4). After concentration under reduced pressure, the residue was purified by fast column chromatography (FC, eluent: EtOAc/heptane=1:9) to afford ethyl 1-benzyl-5,5-difluoro-4-oxo-piperidine-3-carboxylate (1.5 g, 81% yield).LC-MS analysis: retention time (Rut)=1.04 min, mass spectra (ES+) m/z =298.22.

[References]

[1] Patent: WO2005/40120, 2005, A1. Location in patent: Page/Page column 18; 31
[2] Patent: US2015/274652, 2015, A1. Location in patent: Paragraph 0237; 0242; 0243
[3] Patent: WO2016/126869, 2016, A1. Location in patent: Paragraph 0155
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