ChemicalBook--->CAS DataBase List--->882-36-0

882-36-0

882-36-0 Structure

882-36-0 Structure
IdentificationMore
[Name]

N-Benzylacetoacetamide
[CAS]

882-36-0
[Synonyms]

ACETOACETBENZYLAMIDE
BENZYLACETOACETAMIDE
BENZYL ACETOACETIC AMIDE
N-ACETOACETYLBENZYLAMINE
N-BENZYLACETOACETAMIDE
3-oxo-n-(phenylmethyl)-butanamid
AAPCT
N-Benzyl-3-Oxo-Butanamide
ACETOACET-BENZYLAMINE
ACETOACETAMINO-BENZYLAMINE
3-Oxo-N-(phenylmethyl)butyramide
N-Benzyl-3-oxobutyramide
[EINECS(EC#)]

212-928-5
[Molecular Formula]

C11H13NO2
[MDL Number]

MFCD00026260
[Molecular Weight]

191.23
[MOL File]

882-36-0.mol
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of N-Benzylacetoacetamide

4-Methyleneoxetane-2-one (60.00 g, 713.69 mmol) was dissolved in DCM (600 mL), and the solution was placed at 0 °C. Aniline (91.76 g, 856.43 mmol) was added dropwise to obtain the reaction system. The reaction system was then transferred to room temperature and stirred overnight.

After the reaction was complete, the reaction mixture was concentrated under reduced pressure. The resulting residue was slurried for 1 hour with a mixed solvent of petroleum ether and ethyl acetate (10/1 (v/v), 200 mL), filtered, and the filter cake was washed with a mixed solvent of petroleum ether and ethyl acetate (10/1 (v/v), 100 mL) to give the title compound as a yellow solid (136.38 g, 100%).
[Application]

N-Benzylacetoacetamide can be used to prepare the compound 1-acetyl-N-benzylcyclopentaneformamide: Acetylacetylbenzylamine (100.00 g, 522.93 mmol) and K2CO3 (216.50 g, 1568.79 mmol) were suspended in DMF (1 L), and 1,4-dibromobutane (169.36 g, 784.4 mmol) was added dropwise to the solution at room temperature to obtain the reaction system. The reaction system was then stirred overnight at room temperature. After the reaction was completed, the reaction mixture was concentrated under reduced pressure, the residue was diluted with water (500 mL), and extracted with ethyl acetate (500 mL x 3). The organic phases were then combined. Next, the combined organic phases were washed with saturated brine (500 mL x 3) and dried over anhydrous sodium sulfate. The mixture was then filtered, the filtrate was concentrated under reduced pressure, and the residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate (v/v) = 8/1) to give the title compound as a white solid (69.50 g, 54%).
Chemical PropertiesBack Directory
[Appearance]

Light Yellow Powder
[Melting point ]

103 °C
[Boiling point ]

399.4±35.0 °C(Predicted)
[density ]

1.093±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Acetone, Dichloromethane, Ethyl Acetate
[form ]

Powder
[pka]

7.90±0.50(Predicted)
[color ]

Light Yellow
[CAS DataBase Reference]

882-36-0(CAS DataBase Reference)
[EPA Substance Registry System]

882-36-0(EPA Substance)
Safety DataBack Directory
[TSCA ]

TSCA listed
[HS Code ]

2924297099
Hazard InformationBack Directory
[Chemical Properties]

Light Yellow Powder
Spectrum DetailBack Directory
[Spectrum Detail]

N-Benzylacetoacetamide(882-36-0)MS
N-Benzylacetoacetamide(882-36-0)1HNMR
N-Benzylacetoacetamide(882-36-0)13CNMR
N-Benzylacetoacetamide(882-36-0)IR1
N-Benzylacetoacetamide(882-36-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

882-36-0(sigmaaldrich)
[TCI AMERICA]

N-Benzylacetoacetamide,>98.0%(GC)(882-36-0)
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