ChemicalBook--->CAS DataBase List--->476014-76-3

476014-76-3

476014-76-3 Structure

476014-76-3 Structure
IdentificationBack Directory
[Name]

4-hydroxy-2-Piperidinone
[CAS]

476014-76-3
[Synonyms]

4-hydroxy-2-Piperidi
4-Hydroxy-2-piperidone
4-hydroxy-2-Piperidinone
4-Hydroxy-piperidin-2-one
2-Piperidinone, 4-hydroxy-
[Molecular Formula]

C5H9NO2
[MDL Number]

MFCD09743648
[MOL File]

476014-76-3.mol
[Molecular Weight]

115.13
Chemical PropertiesBack Directory
[Melting point ]

165-168°C
[Boiling point ]

352.3±35.0 °C(Predicted)
[density ]

1.199±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

14.01±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)
[InChIKey]

PRCAKTIAKXMBQF-UHFFFAOYSA-N
[SMILES]

N1CCC(O)CC1=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-39
Hazard InformationBack Directory
[Uses]

4-Hydroxy-2-piperidinone is a synthetic intermediate in the synthesis of pharmaceutical goods.
[Synthesis]

2,4-Piperadinedione

50607-30-2

4-hydroxy-2-Piperidinone

476014-76-3

Step 1) NaBH4 (1 g, 26.55 mmol) was slowly added to a solution of piperidine-2,4-dione (1 g, 8.8 mmol) in methanol (25 mL) at 0°C. The reaction mixture was stirred at room temperature overnight before the solvent was removed by distillation under reduced pressure. The residue was purified by silica gel column chromatography (eluent: dichloromethane/methanol, 5:1, v/v) to afford 4-hydroxy-2-piperidone as a yellow solid (960 mg, 87% yield). m/z by LC-MS (ESI, positive ion mode): 138 [M + Na]+.

[References]

[1] Patent: WO2013/138210, 2013, A1. Location in patent: Paragraph 0258
[2] Patent: EP2947085, 2015, A1. Location in patent: Paragraph 0238; 0239; 0240
Spectrum DetailBack Directory
[Spectrum Detail]

4-hydroxy-2-Piperidinone(476014-76-3)1HNMR
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