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CS-W001157 4
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1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid

  • CAS No. 821768-09-6

  • Cat. No. CS-0319385
  • Molecule weight274.24
  • Purity95+%
  • MDL No.None

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

1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid|CS-0319385

Structure of 821768-09-6

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General Information

  • CAS No. 821768-09-6
  • Cat. No. CS-0319385
  • Purity 95+%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃F₃N₂O₂
  • Molecular Weight 274.24
  • Synonym(s) 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic Acid
  • SMILES C1=CC(=C(N=C1)N2CCC(CC2)C(=O)O)C(F)(F)F

Synthesis

  • Route1
    • Ethyl 1-(3-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylate|CS-0737832
      801306-50-3
    • ~%
    • In-stock
      1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid|CS-0319385
      821768-09-6

    References

    • Ajinomoto Co., Inc. Patent: EP1627869 A1, 2006 ; Location in patent: Page/Page column 16 ;
  • Route2
    • Piperidine-4-carboxylic acid Avatrombopag Impurity|CS-0377512
      498-94-2
    • In-stock
      2-Chloro-3-(trifluoromethyl)pyridine|CS-W002203
      65753-47-1
    • ~72%
    • In-stock
      1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid|CS-0319385
      821768-09-6

    References

    • Swanson, Devin M.; Dubin, Adrienne E.; Shah, Chandra; Nasser, Nadia; Chang, Leon; Dax, Scott L.; Jetter, Michele; Breitenbucher, J. Guy; Liu, Changlu; Mazur, Curt; Lord, Brian; Gonzales, Lisa; Hoey, Kenway; Rizzolio, Michele; Bogenstaetter, Michael; Codd, Ellen E.; Lee, Doo H.; Zhang, Sui-Po; Chaplan, Sandra R.; Carruthers, Nicholas I. Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 1857 - 1872

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

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Computational Chemistry Data

  • TPSA   53.43
  • LogP   2.4014
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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