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tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

  • CAS No. 617714-22-4

  • Cat. No. CS-0048178
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate|CS-0048178

Structure of 617714-22-4

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General Information

  • CAS No. 617714-22-4
  • Cat. No. CS-0048178
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₃
  • Molecular Weight 225.28
  • Synonym(s) 5-Oxo-2-aza-bicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=O)N1CC2CCC1CC2=O

Synthesis

  • Route1
    • tert-Butyl 5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate|CS-0048183
      750634-09-4
    • ~94%
    • In-stock
      tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate|CS-0048178
      617714-22-4

    References

    • Gong, Leyi Patent: US2004/176416 A1, 2004 ; Location in patent: Page/Page column 8; 9; 10 ; US 20040176416 A1
  • Route2

    References

    • Gong, Leyi; Hogg, J. Heather; Collier, James; Wilhelm, Robert S.; Soderberg, Carol Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 20 p. 3597 - 3600
  • Route3

    References

    • Gong, Leyi; Hogg, J. Heather; Collier, James; Wilhelm, Robert S.; Soderberg, Carol Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 20 p. 3597 - 3600

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.9749
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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