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3-[4-(Trifluoromethoxy)phenyl]propanoic acid

  • CAS No. 886499-74-7

  • Cat. No. CS-0060256
  • Purity≥98%
  • MDL No.None

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

3-[4-(Trifluoromethoxy)phenyl]propanoic acid|CS-0060256

Structure of 886499-74-7

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General Information

  • CAS No. 886499-74-7
  • Cat. No. CS-0060256
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₃
  • Molecular Weight 234.17
  • Synonym(s) 3-[4-(Trifluoromethoxy)phenyl]propionic acid
  • SMILES C1=C(C=CC(=C1)OC(F)(F)F)CCC(=O)O

Description

3-[4-(Trifluoromethoxy)phenyl]propanoic acid features a conjugated aromatic core with a strongly electron-withdrawing trifluoromethoxy group, enhancing its stability and metabolic resistance. This structural motif enables efficient incorporation into bioactive molecules, particularly in medicinal chemistry scaffolds targeting CNS disorders and kinase inhibition. The carboxylic acid functionality facilitates direct derivatization or salt formation for improved solubility and handling.

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 44, # 7 p. 1085 - 1098

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.6024
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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