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1-((Tert-butoxycarbonyl)amino)cyclooctane-1-carboxylic acid

  • CAS No. 199330-75-1

  • Cat. No. CS-0273172
  • Molecule weight271.35
  • Purity≥97%
  • MDL No.None

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

1-((Tert-butoxycarbonyl)amino)cyclooctane-1-carboxylic acid|CS-0273172

Structure of 199330-75-1

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General Information

  • CAS No. 199330-75-1
  • Cat. No. CS-0273172
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₅NO₄
  • Molecular Weight 271.35
  • Synonym(s) 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic Acid
  • SMILES CC(C)(OC(NC1(C(O)=O)CCCCCCC1)=O)C

Synthesis

  • Route1

    References

    • PURDUE PHARMA L.P.; SHIONOGI and CO., LTD. Patent: WO2009/27820 A2, 2009 ; Location in patent: Page/Page column 276-278 ; WO 2009/027820 A2
  • Route2

    References

    • Palacin, Serge; Chin, Donovan N.; Simanek, Eric E.; MacDonald, John C.; Whitesides, George M.; McBride, Mary T.; Palmore, G. Tayhas R. Journal of the American Chemical Society, 1997 , vol. 119, # 49 p. 11807 - 11816
  • Route3
    • 1,3-Diazaspiro[4.7]Dodecane-2,4-dione|CS-0523812
      710-94-1
    • ~%
    • 1-((Tert-butoxycarbonyl)amino)cyclooctane-1-carboxylic acid|CS-0273172
      199330-75-1

    References

    • Palacin, Serge; Chin, Donovan N.; Simanek, Eric E.; MacDonald, John C.; Whitesides, George M.; McBride, Mary T.; Palmore, G. Tayhas R. Journal of the American Chemical Society, 1997 , vol. 119, # 49 p. 11807 - 11816

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   3.0788
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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