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CS-W001157 4
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1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one

  • CAS No. 801306-55-8

  • Cat. No. CS-0018714
  • Molecule weight244.21
  • Purity≥97%
  • MDL No.MFCD09927614

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

1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one|CS-0018714

Structure of 801306-55-8

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General Information

  • CAS No. 801306-55-8
  • Cat. No. CS-0018714
  • Purity ≥97%
  • MDL No. MFCD09927614
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁F₃N₂O
  • Molecular Weight 244.21
  • Synonym(s) 1-[3-(trifluoromethyl)pyridin-2-yl]piperidin-4-one
  • SMILES O=C1CCN(C2=NC=CC=C2C(F)(F)F)CC1

Synthesis

  • Route1
    • 8-(3-(Trifluoromethyl)pyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]Decane|CS-0551752
      801306-54-7
    • ~72%
    • 1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one|CS-0018714
      801306-55-8

    References

    • Lebsack, Alec D.; Rech, Jason C.; Branstetter, Bryan J.; Hawryluk, Natalie A.; Merit, Jeffrey E.; Allison, Brett; Rynberg, Raymond; Buma, Johnathan; Rizzolio, Michele; Swanson, Nadia; Ao, Hong; Maher, Michael P.; Herrmann, Michelle; Freedman, Jamie; Scott, Brian P.; Luo, Lin; Bhattacharya, Anindya; Wang, Qi; Chaplan, Sandra R.; Wickenden, Alan D.; Breitenbucher, J. Guy Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 23 p. 7142 - 7146
  • Route2

    References

    • Brown, Brian S.; Keddy, Ryan; Zheng, Guo Zhu; Schmidt, Robert G.; Koenig, John R.; McDonald, Heath A.; Bianchi, Bruce R.; Honore, Prisca; Jarvis, Michael F.; Surowy, Carol S.; Polakowski, James S.; Marsh, Kennan C.; Faltynek, Connie R.; Lee, Chih-Hung Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 18 p. 8516 - 8525

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

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Computational Chemistry Data

  • TPSA   33.2
  • LogP   2.2697
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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