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CS-W001157 4
Total: USD 88.00

Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropionate

  • CAS No. 94695-50-8

  • Cat. No. CS-0040352
  • Purity≥97%
  • MDL No.MFCD00523020

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

Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropionate|CS-0040352

Structure of 94695-50-8

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General Information

  • CAS No. 94695-50-8
  • Cat. No. CS-0040352
  • Purity ≥97%
  • MDL No. MFCD00523020
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈F₄O₃
  • Molecular Weight None
  • Synonym(s) Ethyl 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionate
  • SMILES O=C(OCC)CC(C1=CC(F)=C(F)C(F)=C1F)=O

Synthesis

  • Route1
    • In-stock
      3-Ethoxy-3-oxopropanoic acid potassium|CS-D1444
      6148-64-7
    • 2,3,4,5-Tetrafluorobenzoyl chloride|CS-0255991
      94695-48-4
    • ~98%
    • In-stock
      Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropionate|CS-0040352
      94695-50-8

    References

    • CYLENE PHARMACEUTICALS, INC. Patent: WO2008/131134 A1, 2008 ; Location in patent: Page/Page column 57-58 ;
  • Route2
    • In-stock
      3-Ethoxy-3-oxopropanoic acid|CS-0016016
      1071-46-1
    • 2,3,4,5-Tetrafluorobenzoyl chloride|CS-0255991
      94695-48-4
    • ~86%
    • In-stock
      Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropionate|CS-0040352
      94695-50-8

    References

    • Chu, Daniel T. W.; Fernandes, Prabhavathi B.; Maleczka, Robert E.; Nordeen, Carl W.; Pernet, Andre G. Journal of Medicinal Chemistry, 1987 , vol. 30, # 3 p. 504 - 509
  • Route3
    • null|null
      94695-49-5
    • ~%
    • In-stock
      Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropionate|CS-0040352
      94695-50-8

    References

    • Liebigs Annalen der Chemie, , p. 29 - 37

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.3789
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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