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Ethyl2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-ene-1-carboxylate

  • CAS No. 122135-83-5

  • Cat. No. CS-0172299
  • Molecule weight302.27
  • Purity≥95%
  • MDL No.None

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

Ethyl2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-ene-1-carboxylate|CS-0172299

Structure of 122135-83-5

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General Information

  • CAS No. 122135-83-5
  • Cat. No. CS-0172299
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃F₃O₅S
  • Molecular Weight 302.27
  • Synonym(s) Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate
  • SMILES CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      358-23-6
    • In-stock
      Ethyl 2-oxocyclohexanecarboxylate|CS-M0078
      1655-07-8
    • ~98%
    • In-stock
      Ethyl2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-ene-1-carboxylate|CS-0172299
      122135-83-5

    References

    • Gagnier, Steve V.; Larock, Richard C. Journal of the American Chemical Society, 2003 , vol. 125, # 16 p. 4804 - 4807
  • Route2

    References

    • Raghavan, Subharekha; Tria, G. Scott; Shen, Hong C.; Ding, Fa-Xiang; Taggart, Andrew K.; Ren, Ning; Wilsie, Larrisa C.; Krsmanovic, Mihajlo L.; Holt, Tom G.; Wolff, Michael S.; Waters, M. Gerard; Hammond, Milton L.; Tata, James R.; Colletti, Steven L. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 11 p. 3163 - 3167
  • Route3

    References

    • Scheiper, Bodo; Bonnekessel, Melanie; Krause, Helga; Fuerstner, Alois Journal of Organic Chemistry, 2004 , vol. 69, # 11 p. 3943 - 3949

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-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   2.2438
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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