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Methyl 3-fluoro-5-hydroxybenzoate

  • CAS No. 1072004-32-0

  • Cat. No. CS-0150829
  • Purity≥98%
  • MDL No.MFCD14698043

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

Methyl 3-fluoro-5-hydroxybenzoate|CS-0150829

Structure of 1072004-32-0

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General Information

  • CAS No. 1072004-32-0
  • Cat. No. CS-0150829
  • Purity ≥98%
  • MDL No. MFCD14698043
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) None
  • SMILES COC(=O)C1=CC(=CC(=C1)O)F

Description

Methyl 3-fluoro-5-hydroxybenzoate features a strategically positioned fluorine atom and hydroxyl group on the aromatic ring, enabling precise tuning of electronic properties and hydrogen-bonding capacity. This combination enhances solubility and reactivity in synthetic transformations, particularly in cross-coupling and derivatization workflows. The methyl ester serves as a stable handle for further functionalization under standard conditions.

Application

Methyl 3-fluoro-5-hydroxybenzoate serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The ortho-fluoro and meta-hydroxyl groups enable directed metalation and selective functionalization, while the methyl ester facilitates downstream transformations. Its bench-stable nature and compatibility with common coupling reactions support efficient access to complex scaffolds in medicinal chemistry workflows.

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   46.53
  • LogP   1.3179
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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