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CS-W001157 4
Total: USD 88.00

[(4-Fluorophenyl)thio]acetic acid

  • CAS No. 332-51-4

  • Cat. No. CS-0072683
  • Purity≥98%
  • MDL No.None

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

[(4-Fluorophenyl)thio]acetic acid|CS-0072683

Structure of 332-51-4

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General Information

  • CAS No. 332-51-4
  • Cat. No. CS-0072683
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂S
  • Molecular Weight 186.20
  • Synonym(s) (4-Fluorophenylthio)Acetic Acid
  • SMILES O=C(O)CSC(C=C1)=CC=C1F

Description

This fluorinated thioacetic acid derivative integrates a (4-fluorophenyl)thio moiety that enhances electronic effects and metabolic stability. It serves as a key building block for bioactive molecules, offering improved solubility and compatibility in synthetic transformations under standard conditions.

Application

[(4-Fluorophenyl)thio]acetic acid serves as a versatile building block in medicinal and synthetic chemistry, enabling efficient introduction of the (4-fluorophenyl)thio functional group. Its stable thioether linkage facilitates downstream transformations, including nucleophilic substitutions and metal-catalyzed couplings. The molecule exhibits good bench stability and compatibility with common protecting group strategies, making it suitable for multi-step synthesis of heterocyclic scaffolds and pharmaceutical intermediates.

Synthesis

  • Route1
    • null|null
      226396-70-9
    • ~97%
    • In-stock
      [(4-Fluorophenyl)thio]acetic acid|CS-0072683
      332-51-4

    References

    • Zhang, Yue-Mei; Fan, Xiaodong; Yang, Shyh-Ming; Scannevin, Robert H.; Burke, Sharon L.; Rhodes, Kenneth J.; Jackson, Paul F. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 1 p. 405 - 408
  • Route2
    • In-stock
      4-Fluorobenzenethiol|CS-0015928
      371-42-6
    • null|null
      79-11-8
    • ~53%
    • In-stock
      [(4-Fluorophenyl)thio]acetic acid|CS-0072683
      332-51-4

    References

    • Protiva, Miroslav; Jilek, Jiri; Rajsner, Miroslav; Sindelar, Karel; Bartl, Vaclav; et al. Collection of Czechoslovak Chemical Communications, 1987 , vol. 52, # 7 p. 1811 - 1833
  • Route3
    • null|null
      140-89-6
    • ~%
    • In-stock
      [(4-Fluorophenyl)thio]acetic acid|CS-0072683
      332-51-4

    References

    • US2061200 , ; US2061186 , ;

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-P280-P304+P340-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.0024
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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