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CS-W001157 4
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Tert-butyl 3-(((trifluoromethyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]Oct-2-ene-8-carboxylate

  • CAS No. 185099-68-7

  • Cat. No. CS-0448733
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 3-(((trifluoromethyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]Oct-2-ene-8-carboxylate|CS-0448733

Structure of 185099-68-7

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General Information

  • CAS No. 185099-68-7
  • Cat. No. CS-0448733
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈F₃NO₅S
  • Molecular Weight 357.35
  • Synonym(s) tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
  • SMILES CC(C)(C)OC(=O)N1C2CCC1CC(=C2)OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1

    References

    • Lu, Zhijian; Tata, James R.; Cheng, Kang; Wei, Liente; Chan, Wanda W.-S.; Butler, Bridget; Schleim, Klaus D.; Jacks, Thomas M.; Hickey, Gerard; Patchett, Arthur A. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 10 p. 1817 - 1820
  • Route2

    References

    • Purandare, Ashok Vinayak; Wan, Honghe; Huynh, Tram N. Patent: US2006/235037 A1, 2006 ; Location in patent: Page/Page column 59 ; US 20060235037 A1
  • Route3

    References

    • Liang, Guyan; Choi-Sledeski, Yong Mi; Shum, Patrick; Chen, Xin; Poli, Gregory B.; Kumar, Vasant; Minnich, Anne; Wang, Qingping; Tsay, Joseph; Sides, Keith; Kang, Jiesheng; Zhang, Ying Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 4 p. 1606 - 1610

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-H332-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   72.91
  • LogP   2.9083
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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