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CS-W001157 4
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2-Piperazin-1-yl-5-(trifluoromethyl)pyrimidine

  • CAS No. 745066-18-6

  • Cat. No. CS-0029732
  • Purity≥98%
  • MDL No.MFCD09284398

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

2-Piperazin-1-yl-5-(trifluoromethyl)pyrimidine|CS-0029732

Structure of 745066-18-6

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General Information

  • CAS No. 745066-18-6
  • Cat. No. CS-0029732
  • Purity ≥98%
  • MDL No. MFCD09284398
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁F₃N₄
  • Molecular Weight 232.21
  • Synonym(s) 2-(1-Piperazinyl)-5-(trifluoromethyl)pyrimidine; 2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
  • SMILES FC(C1=CN=C(N2CCNCC2)N=C1)(F)F

Synthesis

  • Route1
    • null|null
      845616-57-1
    • ~91%
    • 2-Piperazin-1-yl-5-(trifluoromethyl)pyrimidine|CS-0029732
      745066-18-6

    References

    • Pinard, Emmanuel; Alanine, Alexander; Alberati, Daniela; Bender, Markus; Borroni, Edilio; Bourdeaux, Patrick; Brom, Virginie; Burner, Serge; Fischer, Holger; Hainzl, Dominik; Halm, Remy; Hauser, Nicole; Jolidon, Synese; Lengyel, Judith; Marty, Hans-Peter; Meyer, Thierry; Moreau, Jean-Luc; Mory, Roland; Narquizian, Robert; Nettekoven, Mathias; Norcross, Roger D.; Puellmann, Bernd; Schmid, Philipp; Schmitt, Sebastien; Stalder, Henri; Wermuth, Roger; Wettstein, Joseph G.; Zimmerli, Daniel Journal of Medicinal Chemistry, 2010 , vol. 53, # 12 p. 4603 - 4614
  • Route2
    • Piperazine-1-carboximidamide sulfate|CS-0241926
      1052089-53-8
    • null|null
      176214-18-9
    • ~%
    • 2-Piperazin-1-yl-5-(trifluoromethyl)pyrimidine|CS-0029732
      745066-18-6

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2004/72086 A2, 2004 ; Location in patent: Page 207 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   41.05
  • LogP   0.905
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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