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

  • CAS No. 137654-20-7

  • Cat. No. CS-W005198
  • Purity≥98%
  • MDL No.MFCD02179621

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

2-Fluoro-3-methoxybenzoic acid|CS-W005198

Structure of 137654-20-7

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General Information

  • CAS No. 137654-20-7
  • Cat. No. CS-W005198
  • Purity ≥98%
  • MDL No. MFCD02179621
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₃
  • Molecular Weight 170.14
  • Synonym(s) 2-fluoro-3-methoxybenzoate
  • SMILES O=C(O)C1=CC=CC(OC)=C1F

Description

2-Fluoro-3-methoxybenzoic acid features a strategically positioned fluorine atom and methoxy group that enhance electronic modulation and metabolic stability. This ortho-substituted benzoic acid derivative integrates readily into complex synthetic scaffolds, offering improved solubility and reactivity under standard conditions.

Application

2-Fluoro-3-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, amide formation, or ester derivatization, offering broad utility in API development workflows. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic protocols.

Synthesis

  • Route1

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/20306 A2, 2008 ; Location in patent: Page/Page column 31 ;
  • Route2
    • In-stock
      1-Fluoro-2-methoxybenzene|CS-W011162
      321-28-8
    • null|null
      124-38-9
    • ~78%
    • In-stock
      2-Fluoro-3-methoxybenzoic acid|CS-W005198
      137654-20-7

    References

    • Pena, Miguel A.; Sestelo, Jose Perez; Sarandeses, Luis A. Journal of Organic Chemistry, 2007 , vol. 72, # 4 p. 1271 - 1275
  • Route3

    References

    • Talley; John J.; Bertenshaw; Stephen R.; Graneto; Matthew J.; Rogier; Donald J. Patent: US5547975 A1, 1996 ;

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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