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CS-W001157 4
Total: USD 88.00

1-[3-(Trifluoromethyl)pyrid-2-yl]piperazine

  • CAS No. 87394-63-6

  • Cat. No. CS-0207027
  • Purity≥98%
  • MDL No.MFCD00114705

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

1-[3-(Trifluoromethyl)pyrid-2-yl]piperazine|CS-0207027

Structure of 87394-63-6

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General Information

  • CAS No. 87394-63-6
  • Cat. No. CS-0207027
  • Purity ≥98%
  • MDL No. MFCD00114705
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂F₃N₃
  • Molecular Weight 231.22
  • Synonym(s) 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
  • SMILES C1=CC(=C(N=C1)N2CCNCC2)C(F)(F)F

Synthesis

  • Route1
    • Tert-butyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate|CS-0462505
      946399-62-8
    • ~99%
    • 1-[3-(Trifluoromethyl)pyrid-2-yl]piperazine|CS-0207027
      87394-63-6

    References

    • Xiang, Jason; Wan, Zhao-Kui; Li, Huan-Qiu; Ipek, Manus; Binnun, Eva; Nunez, Jill; Chen, Lihren; McKew, John C.; Mansour, Tarek S.; Xu, Xin; Suri, Vipin; Tam, May; Xing, Yuzhe; Li, Xiangping; Hahm, Seung; Tobin, James; Saiah, Eddine Journal of Medicinal Chemistry, 2008 , vol. 51, # 14 p. 4068 - 4071
  • Route2

    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
  • Route3

    References

    • Bristol-Myers Squibb Company Patent: US4954502 A1, 1990 ;

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   28.16
  • LogP   1.51
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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