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CS-W001157 4
Total: USD 88.00

3,6-Dihydro-2H-thiopyran-4-yl trifluoromethanesulfonate

  • CAS No. 181180-42-7

  • Cat. No. CS-0560362
  • Purity≥98%
  • MDL No.None

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

3,6-Dihydro-2H-thiopyran-4-yl trifluoromethanesulfonate|CS-0560362

Structure of 181180-42-7

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General Information

  • CAS No. 181180-42-7
  • Cat. No. CS-0560362
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇F₃O₃S₂
  • Molecular Weight 248.24
  • Synonym(s) trifluoro-methanesulfonic acid 3,6-dihydro-2H-thiopyran-4-yl ester
  • SMILES C1CSCC=C1OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1

    References

    • Schnider, Patrick Patent: US2006/30600 A1, 2006 ; Location in patent: Page/Page column 18 ; US 20060030600 A1
  • Route2

    References

    • ELI LILLY AND COMPANY Patent: WO2005/73206 A1, 2005 ; Location in patent: Page/Page column 14-15 ; WO 2005/073206 A1
  • Route3

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2006/47504 A1, 2006 ; Location in patent: Page/Page column 100-101 ; WO 2006/047504 A1

Safety Information

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.8734
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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