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CS-W001157 4
Total: USD 88.00

2-Chloro-6-fluoro-3-methoxybenzoic acid

  • CAS No. 886499-40-7

  • Cat. No. CS-0196044
  • Purity≥98%
  • MDL No.None

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

2-Chloro-6-fluoro-3-methoxybenzoic acid|CS-0196044

Structure of 886499-40-7

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General Information

  • CAS No. 886499-40-7
  • Cat. No. CS-0196044
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClFO₃
  • Molecular Weight 204.58
  • Synonym(s) None
  • SMILES COC1=C(C(=C(C=C1)F)C(=O)O)Cl

Description

2-Chloro-6-fluoro-3-methoxybenzoic acid features a strategically positioned methoxy group that enhances solubility and modulates electronic properties, while the ortho-chloro and para-fluoro substituents provide steric and electronic control. This combination enables efficient coupling in pharmaceutical synthesis, particularly in constructing bioactive heterocycles under standard conditions.

Application

2-Chloro-6-fluoro-3-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles and pharmaceutical scaffolds. Its orthogonal reactivity profile—combining halogen (Cl), fluorine (F), and methoxy (OMe) substituents—facilitates selective functionalization via cross-coupling, nucleophilic substitution, and cyclization protocols. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • null|null
      124-38-9
    • ~96%
    • In-stock
      2-Chloro-6-fluoro-3-methoxybenzoic acid|CS-0196044
      886499-40-7

    References

    • ASTEX THERAPEUTICS LIMITED Patent: WO2006/77414 A1, 2006 ; Location in patent: Page/Page column 149 ; WO 2006/077414 A1
  • Route2
    • null|null
      124-38-9
    • In-stock
      2-Chloro-4-fluoroanisole|CS-W016148
      2267-25-6
    • ~87%
    • In-stock
      2-Chloro-6-fluoro-3-methoxybenzoic acid|CS-0196044
      886499-40-7

    References

    • FOVEA PHARMACEUTICALS; FEUTRILL, John; LERICHE, Caroline; MIDDLEMISS, David Patent: WO2013/37705 A2, 2013 ; Location in patent: Page/Page column 104 ; WO 2013/037705 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

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.1859
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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