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CS-W001157 4
Total: USD 88.00

(1R,4S)-tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate

  • CAS No. 163513-98-2

  • Cat. No. CS-0054189
  • Purity≥97%
  • MDL No.MFCD13152251

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

(1R,4S)-tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate|CS-0054189

Structure of 163513-98-2

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General Information

  • CAS No. 163513-98-2
  • Cat. No. CS-0054189
  • Purity ≥97%
  • MDL No. MFCD13152251
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇NO₃
  • Molecular Weight 211.26
  • Synonym(s) (1R,4S)-7-Boc-2-oxo-7-azabicyclo[2.2.1]heptane
  • SMILES O=C1[C@@](N2C(OC(C)(C)C)=O)([H])CC[C@@]2([H])C1

Synthesis

  • Route1
    • Tert-butyl (1R,2S,4S)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate|CS-1164650
      154905-39-2
    • ~10%
    • (1R,4S)-tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate|CS-0054189
      163513-98-2

    References

    • GEORGETOWN UNIVERSITY Patent: WO2005/806 A2, 2005 ; Location in patent: Page 71 ; WO 2005/000806 A2
  • Route2
    • null|null
      354142-16-8
    • ~88%
    • (1R,4S)-tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate|CS-0054189
      163513-98-2

    References

    • Pandey, Ganesh; Tiwari, Shashi Kant; Singh, Ram Shanker; Mali, Raghao S. Tetrahedron Letters, 2001 , vol. 42, # 23 p. 3947 - 3949
  • Route3
    • (1R,2R,4S)-tert-Butyl 2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate|CS-0058925
      152614-12-5
    • ~87%
    • (1R,4S)-tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate|CS-0054189
      163513-98-2

    References

    • Albertini, Enrichetta; Barco, Achille; Benetti, Simonetta; De Risi, Carmela; Pollini, Gian P.; Zanirato, Vinicio Tetrahedron, 1997 , vol. 53, # 50 p. 17177 - 17194

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.7273
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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