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CS-W001157 4
Total: USD 88.00

3-Fluoro-5-methoxybenzoic acid

  • CAS No. 176548-72-4

  • Cat. No. CS-W003479
  • Purity≥98%
  • MDL No.MFCD08235092

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

3-Fluoro-5-methoxybenzoic acid|CS-W003479

Structure of 176548-72-4

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General Information

  • CAS No. 176548-72-4
  • Cat. No. CS-W003479
  • Purity ≥98%
  • MDL No. MFCD08235092
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) None
  • SMILES COc1cc(F)cc(c1)C(=O)O

Description

3-Fluoro-5-methoxybenzoic acid features a strategically positioned fluorine atom and methoxy group that enhance electronic modulation and metabolic stability. This aromatic carboxylic acid integrates readily into bioactive scaffolds, offering improved solubility and target engagement in medicinal chemistry applications.

Application

3-Fluoro-5-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluoro and meta-methoxy substituents provide predictable electronic modulation and enhanced metabolic stability. The carboxylic acid functionality facilitates direct coupling reactions, amidation, or esterification, offering robust access to diverse scaffolds under standard synthetic conditions.

Synthesis

  • Route1

    References

    • Wagenen, Bradford Van; Stormann, Thomas M.; Moe, Scott T.; Sheehan, Susan M.; McLeod, Donald A.; Smith, Daryl L.; Isaac, Methvin Benjamin; Slassi, Abdelmalik Patent: US2003/55085 A1, 2003 ; US 20030055085 A1
  • Route2
    • In-stock
      3,5-Difluorobenzoic acid|CS-W016212
      455-40-3
    • null|null
      124-41-4
    • ~%
    • In-stock
      3-Fluoro-5-methoxybenzoic acid|CS-W003479
      176548-72-4

    References

    • WO2011/156518 A2, ; Page/Page column 116; 117 ; WO 2011/156518 A2

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   1.5325
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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