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CS-W001157 4
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2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride

  • CAS No. 647863-02-3

  • Cat. No. CS-0092008
  • Purity95+%
  • MDL No.MFCD09954920

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

2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride|CS-0092008

Structure of 647863-02-3

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General Information

  • CAS No. 647863-02-3
  • Cat. No. CS-0092008
  • Purity 95+%
  • MDL No. MFCD09954920
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClF₃N₃
  • Molecular Weight 239.63
  • Synonym(s) 2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
  • SMILES FC(C1=NC=C2C(CNCC2)=N1)(F)F.[H]Cl

Synthesis

  • Route1
    • 7-Benzyl-4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine|CS-0077285
      647863-01-2
    • ~%
    • 2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride|CS-0092008
      647863-02-3

    References

    • MERCK and CO., INC. Patent: WO2006/9886 A1, 2006 ; Location in patent: Page/Page column 47-48 ; WO 2006/009886 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.81
  • LogP   1.5629
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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