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CS-W001157 4
Total: USD 88.00

2-(2-Acetyl-4-fluorophenoxy)acetic acid

  • CAS No. 34848-65-2

  • Cat. No. CS-0581475
  • Purity≥98%
  • MDL No.None

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

2-(2-Acetyl-4-fluorophenoxy)acetic acid|CS-0581475

Structure of 34848-65-2

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General Information

  • CAS No. 34848-65-2
  • Cat. No. CS-0581475
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FO₄
  • Molecular Weight 212.17
  • Synonym(s) None
  • SMILES CC(=O)C1=C(C=CC(=C1)F)OCC(=O)O

Synthesis

  • Route1

    References

    • Mylari, Banavara L.; Armento, Sandra J.; Beebe, David A.; Conn, Edward L.; Coutcher, James B.; Dina, Michael S.; O'Gorman, Melissa T.; Linhares, Michael C.; Martin, William H.; Oates, Peter J.; Tess, David A.; Withbroe, Gregory J.; Zembrowski, William J. Journal of Medicinal Chemistry, 2005 , vol. 48, # 20 p. 6326 - 6339
  • Route2

    References

    • Mylari, Banavara L. Patent: US2002/143017 A1, 2002 ; US 20020143017 A1
  • Route3
    • Ethyl 2-(2-acetyl-4-fluorophenoxy)acetate|CS-0663365
      34849-57-5
    • ~68%
    • 2-(2-Acetyl-4-fluorophenoxy)acetic acid|CS-0581475
      34848-65-2

    References

    • Paul, Noel M.; Taylor, Michelle; Kumar, Rakesh; Deschamps, Jeffrey R.; Luedtke, Robert R.; Newman, Amy Hauck Journal of Medicinal Chemistry, 2008 , vol. 51, # 19 p. 6095 - 6109

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.4917
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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