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[ CAS No. 5733-86-8 ]

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2D
Chemical Structure| 5733-86-8
Chemical Structure| 5733-86-8
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Product Details of [ 5733-86-8 ]

CAS No. :5733-86-8MDL No. :MFCD00085749
Formula : C12H13NO3 Boiling Point : 471.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :219.24Pubchem ID :99024
Synonyms :

Computed Properties of [ 5733-86-8 ]

TPSA : 57.6 H-Bond Acceptor Count : 3
XLogP3 : 0.5 H-Bond Donor Count : 1
SP3 : 0.33 Rotatable Bond Count : 3

Safety of [ 5733-86-8 ]

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

Application In Synthesis of [ 5733-86-8 ]

  • Upstream synthesis route of [ 5733-86-8 ]
  • Downstream synthetic route of [ 5733-86-8 ]

[ 5733-86-8 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 5733-86-8 ]
  • [ 5731-17-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 1151 - 1175
  • 2
  • [ 5733-86-8 ]
  • [ 114214-69-6 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 1151 - 1175
  • 3
  • [ 5733-86-8 ]
  • [ 305329-97-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 1151 - 1175
  • 4
  • [ 5733-86-8 ]
  • [ 478832-05-2 ]
Reference: [1] Patent: EP1403255, 2004, A1,
  • 5
  • [ 5733-86-8 ]
  • [ 75-65-0 ]
  • [ 478832-03-0 ]
YieldReaction ConditionsOperation in experiment
51% for 2 h; Heating / reflux In tert-butyl alcohol (6 ml) was dissolved 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid (1.00 g, 4.56 mmol), and triethylamine (0.76 ml, 5.5 mmol) was added thereto. Then, a solution of diphenylphosphoryl azide (1.38 g, 5.02 mmol) in tert-butyl alcohol (4 ml) was added thereto, and the resulting mixture was refluxed for 2 hours. After completion of the reaction, the reaction solution was concentrated and the tert-butyl alcohol was removed as an azeotrope with toluene as much as possible. The residue was purified by a silica gel chromatography (eluent: ethyl acetate/hexane) to obtain tert-butyl 1-benzyl-5-oxo-3-pyrrolidinylcarbamate (480 mg, 51percent).1H-NMR (DMSO-d6) δ; 1.34 (9H, s), 2.23 (1H, dd, J=5.7, 16.8Hz), 2.61 (1H, dd, J=8.6, 16.8Hz), 3.01 (1H, dd, J=5.7, 9.9Hz), 3.43 (1H, dd, J=8.6, 9.9Hz), 4.03 (1H, m), 4.36 (2H, s), 7.30 (6H, m).
Reference: [1] Patent: EP1403255, 2004, A1, . Location in patent: Page 78-79
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