ChemicalBook--->CAS DataBase List--->99780-98-0

99780-98-0

99780-98-0 Structure

99780-98-0 Structure
IdentificationBack Directory
[Name]

3-(Boc-amino)-2-piperidone
[CAS]

99780-98-0
[Synonyms]

3-(Boc-amino)-2-piperidone
3-Boc-aMino-2-piperidinone
_x000D_3-(Boc-amino)-2-piperidone
tert-Butyl (2-oxopiperidin-3-yl)carbaMate
tert-butyl N-(2-oxopiperidin-3-yl)carbamate
(+/-)-3-<(tert-butoxycarbonyl)amino>-2-piperidone
Carbamic acid, N-(2-oxo-3-piperidinyl)-, 1,1-dimethylethyl ester
[Molecular Formula]

C10H18N2O3
[MDL Number]

MFCD13190662
[MOL File]

99780-98-0.mol
[Molecular Weight]

214.26
Chemical PropertiesBack Directory
[Boiling point ]

405.6±34.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

11.05±0.20(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Boc-amino)-2-piperidone(99780-98-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-amino-2-Piperidinone

1892-22-4

Di-tert-butyl dicarbonate

24424-99-5

3-(Boc-amino)-2-piperidone

99780-98-0

General procedure for the synthesis of 3-(Boc-amino)-2-piperidinone from 3-aminopiperidin-2-one and di-tert-butyl dicarbonate: To a 500 mL round-bottomed flask were added 3-aminopiperidin-2-one (10 g, 87.61 mmol, 1.00 equiv), methanol (200 g, 6.24 mol, 71.25 equiv), and triethylamine (20 mL). A solution of di-tert-butyl dicarbonate (20 g, 91.64 mmol, 1.05 equiv) in methanol (100 mL) was added slowly and dropwise with stirring at 0 °C. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the mixture was concentrated under vacuum. The crude product was purified by column chromatography to afford 16 g (85% yield) of 3-(Boc-amino)-2-piperidone as a white solid.

[References]

[1] Patent: WO2017/75056, 2017, A1. Location in patent: Paragraph 0410
[2] Journal of Medicinal Chemistry, 1986, vol. 29, # 2, p. 251 - 260
[3] Farmaco, 2004, vol. 59, # 4, p. 271 - 277
[4] Patent: WO2004/98589, 2004, A1. Location in patent: Page 163
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