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CS-W001157 4
Total: USD 88.00

4-Fluorophenoxyacetic acid

  • CAS No. 405-79-8

  • Cat. No. CS-0045013
  • Purity≥98%
  • MDL No.MFCD00004304

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

4-Fluorophenoxyacetic acid|CS-0045013

Structure of 405-79-8

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General Information

  • CAS No. 405-79-8
  • Cat. No. CS-0045013
  • Purity ≥98%
  • MDL No. MFCD00004304
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) None
  • SMILES O=C(O)COC1=CC=C(F)C=C1

Description

4-Fluorophenoxyacetic acid features a fluorinated aromatic ring paired with a carboxylic acid handle, enabling robust integration into bioactive molecule scaffolds. This bench-stable derivative offers enhanced metabolic stability and improved membrane permeability compared to non-fluorinated analogs, making it valuable for medicinal chemistry campaigns targeting CNS-penetrant compounds.

Application

4-Fluorophenoxyacetic acid serves as a versatile building block in medicinal chemistry, enabling the incorporation of both phenolic and carboxylic acid functionalities into target molecules. Its fluorinated aromatic ring enhances metabolic stability and modulates electronic properties, while the pendant acetic acid group facilitates conjugation via amide, ester, or salt formation. The compound exhibits good bench stability and is compatible with standard synthetic protocols, making it well-suited for the construction of bioactive heterocycles and API intermediates.

Synthesis

  • Route1
    • Ethyl 2-(4-fluorophenoxy)acetate|CS-0313142
      777-87-7
    • ~%
    • In-stock
      4-Fluorophenoxyacetic acid|CS-0045013
      405-79-8

    References

    • Chevron Research Company Patent: US4620867 A1, 1986 ;
  • Route2
    • In-stock
      p-Fluorophenol|CS-W008731
      371-41-5
    • null|null
      79-11-8
    • ~63%
    • In-stock
      4-Fluorophenoxyacetic acid|CS-0045013
      405-79-8

    References

    • Heescher, Carolin; Schollmeyer, Dieter; Nubbemeyer, Udo European Journal of Organic Chemistry, 2013 , # 20 p. 4399 - 4404
  • Route3

    References

    • Xia, Yan; Won, Misun; Kang, Jung Eun; Park, Song-Kyu; Lee, Kiho; Kim, Hwan-Mook; Lee, Kyeong Bulletin of the Korean Chemical Society, 2010 , vol. 31, # 12 p. 3826 - 3829

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   46.53
  • LogP   1.2891
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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