ChemicalBook--->CAS DataBase List--->50607-30-2

50607-30-2

50607-30-2 Structure

50607-30-2 Structure
IdentificationBack Directory
[Name]

2,4-Piperadinedione
[CAS]

50607-30-2
[Synonyms]

2,4-PIPERADINEDIONE
2,4-Piperidinedione
PIPERIDIN-2,4-DIONE
2,4-Dioxopiperidine
Piperidine-2,4-dione
2,4-PiperadinedioneE
2,4-Diketopiperidine
2,4-Piperidinedione>
Piperidine-2,4-dione 97%
2,4-Piperidinedione, 95+%
dihydropyridine-4,6-dione
piperidine-2,4-dione, dihydropyridine-4,6-dione, 2,4-dioxopiperidine, 2,4-piperidinedione, piperidin-2,4-dione, 2,4-diketopiperidine, Piperidine-2,4-dione
[EINECS(EC#)]

803-771-9
[Molecular Formula]

C5H7NO2
[MDL Number]

MFCD08704814
[MOL File]

50607-30-2.mol
[Molecular Weight]

113.11
Chemical PropertiesBack Directory
[Melting point ]

98.0 to 102.0 °C
[Boiling point ]

362.1±35.0 °C(Predicted)
[density ]

1.184±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to crystal
[pka]

12.00±0.70(Predicted)
[color ]

White to Orange to Green
[InChIKey]

RDNZDMDLRIQQAX-UHFFFAOYSA-N
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-43
[Safety Statements ]

26-36/37
[RIDADR ]

UN 3335
[WGK Germany ]

3
[HS Code ]

2933790090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Ethyl acrylate-->Ethanethiol-->PICRIC ACID-->Benzyltrimethylammonium hydroxide-->Ethyl malonyl chloride-->N-phenylsulfanylbenzenesulfenamide
[Preparation Products]

4-hydroxy-2-Piperidinone-->2,4-Piperidinedione,3-[(dimethylamino)methylene]-(9CI)
Hazard InformationBack Directory
[Description]

2,4-Piperidinedione is an important piperidine ring-containing intermediate, and its 2,4-piperidinedione, as a characteristic fragment, is widely used as an intermediate in the synthesis of ibrutinib and paliperidone drugs.
[Chemical Properties]

White to light yellow solid
[Uses]

2,4-Piperidinedione is a reactant in the synthesis of 1,4-dihydropyridines as TGFβ/Smad inhibitors.
[Preparation]

The synthesis of 2,4-Piperidinedione involved dissolving 400 mg (2.34 mmol, 1.00 eq.) of Methyl 2,4-dioxo-piperidine-3-carboxylate in a mixture of acetonitrile (20 mL) and water (0.2 mL). The solution was then heated to approximately 86° C. and maintained at this temperature for around 4 hours. After completion of the reaction, the solvent was removed under vacuum, leaving behind a residue of 2,4-Piperidinedione. This residue was further purified using silica gel column chromatography with a mobile phase consisting of dichloromethane and methanol in a ratio of 100:1. The target product, 2,4-Piperidinedione, was obtained as a white solid, with a yield of 27%, corresponding to 70 mg.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-Piperadinedione(50607-30-2)1HNMR
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