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CS-W001157 4
Total: USD 88.00

4-(4-Fluorophenyl)butanoic acid

  • CAS No. 589-06-0

  • Cat. No. CS-0022368
  • Purity≥97%
  • MDL No.MFCD03788503

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

4-(4-Fluorophenyl)butanoic acid|CS-0022368

Structure of 589-06-0

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General Information

  • CAS No. 589-06-0
  • Cat. No. CS-0022368
  • Purity ≥97%
  • MDL No. MFCD03788503
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₂
  • Molecular Weight 182.19
  • Synonym(s) 4-Fluorobenzenebutanoic acid; 4-(p-fluorophenyl)butyric acid
  • SMILES O=C(O)CCCC1=CC=C(F)C=C1

Description

4-(4-Fluorophenyl)butanoic acid features a conjugated aryl-aliphatic linkage with a fluorinated phenyl moiety, delivering enhanced metabolic stability and favorable lipophilicity. This structure integrates readily into bioactive scaffolds, serving as a key building block in medicinal chemistry for modulating pharmacokinetic properties.

Application

4-(4-Fluorophenyl)butanoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive molecules through standard coupling and functionalization reactions. Its fluorinated aryl group enhances metabolic stability and modulates electronic properties, while the aliphatic carboxylic acid facilitates derivatization via amide, ester, or amidation protocols. The compound exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1

    References

    • US5872118 A1, ;
  • Route2
    • (E)-4-(4-Fluorophenyl)but-3-enoic acid|CS-1720342
      127404-66-4
    • ~%
    • In-stock
      4-(4-Fluorophenyl)butanoic acid|CS-0022368
      589-06-0

    References

    • Synthetic Communications, , vol. 34, # 20 p. 3751 - 3762
  • Route3
    • null|null
      462-06-6
    • ~%
    • In-stock
      4-(4-Fluorophenyl)butanoic acid|CS-0022368
      589-06-0

    References

    • Journal of the American Chemical Society, , vol. 70, p. 3177

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   37.3
  • LogP   2.233
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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