ChemicalBook--->CAS DataBase List--->478832-03-0

478832-03-0

478832-03-0 Structure

478832-03-0 Structure
IdentificationBack Directory
[Name]

tert-Butyl (1-benzyl-5-oxopyrrolidin-3-yl)carbamate
[CAS]

478832-03-0
[Synonyms]

Benzoicacid,3-bromo-5-ethyl-
tert-butyl 1-benzyl-5-oxo-3-pyrrolidinylcarbamate
tert-Butyl (1-benzyl-5-oxopyrrolidin-3-yl)carbamate
[Molecular Formula]

C16H22N2O3
[MDL Number]

MFCD24393306
[MOL File]

478832-03-0.mol
[Molecular Weight]

290.36
Chemical PropertiesBack Directory
[Boiling point ]

477.5±44.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

11.55±0.20(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID

5733-86-8

tert-Butanol

75-65-0

tert-Butyl (1-benzyl-5-oxopyrrolidin-3-yl)carbamate

478832-03-0

GENERAL STEPS: 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid (1.00 g, 4.56 mmol) was dissolved in tert-butanol (6 mL) followed by the addition of triethylamine (0.76 mL, 5.5 mmol). Next, a solution of diphenylphosphoryl azide (1.38 g, 5.02 mmol) in tert-butanol (4 mL) was slowly added dropwise to the reaction system. The resulting reaction mixture was heated to reflux for 2 hours. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure and toluene was used as an azeotropic solvent to completely remove the tert-butanol. The residue was purified by silica gel column chromatography with the eluent being a mixed ethyl acetate/hexane solvent to give tert-butyl (1-benzyl-5-oxopyrrolidin-3-yl)carbamate (480 mg, 51% yield). The structure of the product was confirmed by 1H-NMR (DMSO-d6): δ 1.34 (9H, s), 2.23 (1H, dd, J = 5.7, 16.8 Hz), 2.61 (1H, dd, J = 8.6, 16.8 Hz), 3.01 (1H, dd, J = 5.7, 9.9 Hz), 3.43 (1H, dd, J = 8.6, 9.9 Hz), 4.03 (1H, m), 4.36 (2H, s), 7.30 (6H, m).

[References]

[1] Patent: EP1403255, 2004, A1. Location in patent: Page 78-79
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