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CS-W001157 4
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3-Fluoro-2-methoxybenzoic acid

  • CAS No. 106428-05-1

  • Cat. No. CS-0028739
  • Purity≥98%
  • MDL No.MFCD00973972

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

3-Fluoro-2-methoxybenzoic acid|CS-0028739

Structure of 106428-05-1

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General Information

  • CAS No. 106428-05-1
  • Cat. No. CS-0028739
  • Purity ≥98%
  • MDL No. MFCD00973972
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) 3-fluoro-2-methoxy-benzoic Acid
  • SMILES O=C(O)C1=CC=CC(F)=C1OC

Description

3-Fluoro-2-methoxybenzoic acid offers a strategically positioned fluorine and methoxy group on the aromatic ring, enabling enhanced metabolic stability and modulated electronic properties. This combination improves lipophilicity and facilitates selective interactions in bioactive molecule design. The carboxylic acid moiety provides a robust handle for derivatization via amide or ester formation.

Application

3-Fluoro-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via standard esterification, amide coupling, and Suzuki-Miyaura cross-coupling reactions. Its ortho-fluoro and meta-methoxy substituents provide enhanced metabolic stability and modulate electronic properties, while the carboxylic acid group offers reliable derivatization potential. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

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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