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CS-W001157 4
Total: USD 88.00

2-(4-((Trifluoromethyl)thio)phenyl)acetic acid

  • CAS No. 243977-23-3

  • Cat. No. CS-0108792
  • Purity≥97%
  • MDL No.MFCD00236351

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

2-(4-((Trifluoromethyl)thio)phenyl)acetic acid|CS-0108792

Structure of 243977-23-3

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General Information

  • CAS No. 243977-23-3
  • Cat. No. CS-0108792
  • Purity ≥97%
  • MDL No. MFCD00236351
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₂S
  • Molecular Weight 236.21
  • Synonym(s) 4-(Trifluoromethylthio)phenylacetic acid
  • SMILES O=C(O)CC1=CC=C(SC(F)(F)F)C=C1

Description

This trifluoromethylthio-substituted acetic acid derivative features a robust aryl-thio linkage that enhances metabolic stability and lipophilicity. The para-positioned trifluoromethylthio group imparts strong electron-withdrawing character, enabling precise tuning of reactivity in synthetic transformations. Designed for medicinal chemistry applications, this compound integrates seamlessly into bioactive scaffolds requiring enhanced membrane permeability and resistance to oxidative degradation.

Application

2-(4-((Trifluoromethyl)thio)phenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive molecules through standard functional group transformations. Its trifluoromethylthio moiety imparts enhanced metabolic stability and lipophilicity, while the carboxylic acid functionality facilitates direct coupling or derivatization. The compound exhibits good bench stability and is compatible with common reaction conditions, supporting efficient access to heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 35, p. 1628 - 1636,1631 - 1637
  • Route2
    • (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane|CS-W014582
      21101-63-3
    • ~%
    • In-stock
      2-(4-((Trifluoromethyl)thio)phenyl)acetic acid|CS-0108792
      243977-23-3

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 35, p. 1628 - 1636,1631 - 1637
  • Route3
    • 2-(4-((Trifluoromethyl)thio)phenyl)acetonitrile|CS-0157403
      70124-90-2
    • ~%
    • In-stock
      2-(4-((Trifluoromethyl)thio)phenyl)acetic acid|CS-0108792
      243977-23-3

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 35, p. 1628 - 1636,1631 - 1637

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9256
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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