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Ethyl 2-(trifluoromethylsulfonyloxy)cyclopent-1-enecarboxylate

  • CAS No. 122539-74-6

  • Cat. No. CS-0206813
  • Purity≥95%
  • MDL No.MFCD00209586

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

Ethyl 2-(trifluoromethylsulfonyloxy)cyclopent-1-enecarboxylate|CS-0206813

Structure of 122539-74-6

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General Information

  • CAS No. 122539-74-6
  • Cat. No. CS-0206813
  • Purity ≥95%
  • MDL No. MFCD00209586
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁F₃O₅S
  • Molecular Weight 288.24
  • Synonym(s) ethyl 2-(trifluoromethylsulfonyloxy)-1-cyclopente
  • SMILES CCOC(=O)C1=C(CCC1)OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1

    References

    • Denhart, Derek John; Ditta, Jonathan L.; King, Dalton; Macor, John E.; Marcin, Lawrence R.; Mattson, Ronald J.; Meng, Zhaoxing Patent: US2004/63768 A1, 2004 ; Location in patent: Page/Page column 9 ;
  • Route2

    References

    • Birck, Matthew R.; Clinch, Keith; Gainsford, Graeme J.; Schramm, Vern L.; Tyler, Peter C. Helvetica Chimica Acta, 2009 , vol. 92, # 5 p. 823 - 838
  • Route3

    References

    • Frackenpohl, Jens; Müller, Thomas; Heinemann, Ines; Von Koskull-döring, Pascal; Rosinger, Christopher Hugh; Häuser-Hahn, Isolde; Hills, Martin Jeffrey Patent: US2014/80704 A1, 2014 ; Location in patent: Paragraph 0221 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   1.8537
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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