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[ CAS No. 478832-05-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 478832-05-2
Chemical Structure| 478832-05-2
Structure of 478832-05-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 478832-05-2 ]

Related Doc. of [ 478832-05-2 ]

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Product Details of [ 478832-05-2 ]

CAS No. :478832-05-2MDL No. :MFCD09743237
Formula : C11H15ClN2O Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :226.70Pubchem ID :18541766
Synonyms :

Computed Properties of [ 478832-05-2 ]

TPSA : 46.3 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.36 Rotatable Bond Count : 2

Safety of [ 478832-05-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 478832-05-2 ]

  • Upstream synthesis route of [ 478832-05-2 ]

[ 478832-05-2 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 478832-03-0 ]
  • [ 478832-05-2 ]
YieldReaction ConditionsOperation in experiment
99% With hydrogenchloride In tetrahydrofuran; 1,4-dioxane at 20℃; In tetrahydrofuran (6 ml) was dissolved tert-butyl 1-benzyl-5-oxo-3-pyrrolidinylcarbamate (480 mg, 1.65 mmol), followed by adding thereto 4N-hydrogen chloride/dioxane (6.0 ml, 24 mmol), and the resulting mixture was stirred overnight at room temperature. After completion of the reaction, diethyl ether (35 ml) was added to the reaction solution, and the resulting mixture was stirred at room temperature for 30 minutes and the precipitate was collected by filtration. The precipitate was washed with diethyl ether and dried to obtain 4-amino-1-benzyl-2-pyrrolidinone hydrochloride (380 mg, 99percent).1H-NMR (DMSO-d6) δ; 2.23 (1H, dd, J=4.0, 17.2Hz), 2.76 (1H, dd, J=8.6, 17.2Hz), 3.22 (1H, dd, J=4.0, 10.8Hz), 3.53 (1H, dd, J=7.7, 10.8Hz), 3.89 (1H, bs), 4.30 (1H, d, J=15.0Hz), 4.45 (1H, d, J=15.0Hz), 7.30 (5H, m), 8.32 (2H, bs).
Reference: [1] Patent: EP1403255, 2004, A1. Location in patent: Page 79
  • 2
  • [ 5733-86-8 ]
  • [ 478832-05-2 ]
Reference: [1] Patent: EP1403255, 2004, A1
  • 3
  • [ 51535-00-3 ]
  • [ 478832-05-2 ]
Reference: [1] Patent: EP1403255, 2004, A1
  • 4
  • [ 478832-03-0 ]
  • [ 478832-05-2 ]
YieldReaction ConditionsOperation in experiment
99% With hydrogenchloride In tetrahydrofuran; 1,4-dioxane at 20℃; In tetrahydrofuran (6 ml) was dissolved tert-butyl 1-benzyl-5-oxo-3-pyrrolidinylcarbamate (480 mg, 1.65 mmol), followed by adding thereto 4N-hydrogen chloride/dioxane (6.0 ml, 24 mmol), and the resulting mixture was stirred overnight at room temperature. After completion of the reaction, diethyl ether (35 ml) was added to the reaction solution, and the resulting mixture was stirred at room temperature for 30 minutes and the precipitate was collected by filtration. The precipitate was washed with diethyl ether and dried to obtain 4-amino-1-benzyl-2-pyrrolidinone hydrochloride (380 mg, 99percent).1H-NMR (DMSO-d6) δ; 2.23 (1H, dd, J=4.0, 17.2Hz), 2.76 (1H, dd, J=8.6, 17.2Hz), 3.22 (1H, dd, J=4.0, 10.8Hz), 3.53 (1H, dd, J=7.7, 10.8Hz), 3.89 (1H, bs), 4.30 (1H, d, J=15.0Hz), 4.45 (1H, d, J=15.0Hz), 7.30 (5H, m), 8.32 (2H, bs).
Reference: [1] Patent: EP1403255, 2004, A1. Location in patent: Page 79
  • 5
  • [ 5733-86-8 ]
  • [ 478832-05-2 ]
Reference: [1] Patent: EP1403255, 2004, A1
  • 6
  • [ 51535-00-3 ]
  • [ 478832-05-2 ]
Reference: [1] Patent: EP1403255, 2004, A1
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