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CS-W001157 4
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4-Fluoro-3-hydroxybenzoic acid

  • CAS No. 51446-31-2

  • Cat. No. CS-W014369
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD00269641

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

4-Fluoro-3-hydroxybenzoic acid|CS-W014369

Structure of 51446-31-2

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General Information

  • CAS No. 51446-31-2
  • Cat. No. CS-W014369
  • Purity ≥97%
  • MDL No. MFCD00269641
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅FO₃
  • Molecular Weight None
  • Synonym(s) 4-fluoro-3-hydroxybenzoate
  • SMILES O=C(O)C1=CC=C(F)C(O)=C1

Description

4-Fluoro-3-hydroxybenzoic acid features a strategically positioned fluorine atom and hydroxyl group on the aromatic ring, enabling enhanced electronic modulation and hydrogen bonding capacity. This combination supports efficient incorporation into bioactive scaffolds and facilitates downstream functionalization in medicinal chemistry campaigns under standard conditions.

Application

4-Fluoro-3-hydroxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its ortho-hydroxyl and para-fluoro substituents provide complementary reactivity for palladium-catalyzed coupling, electrophilic substitution, and directed metalation. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1

    References

    • Hinks; Jeremy David; Takle; Andrew Kenneth; Hunt; Eric Patent: US6020368 A1, 2000 ;
  • Route2

    References

    • Zeneca Limited Patent: US5580870 A1, 1996 ; US 5580870 A

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-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.2295
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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