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CS-W001157 4
Total: USD 88.00

Canagliflozin impurity 26

  • CAS No. 85-57-4

  • Cat. No. CS-W021410
  • Purity≥98%
  • MDL No.MFCD00016507

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

Canagliflozin impurity 26|CS-W021410

Structure of 85-57-4

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General Information

  • CAS No. 85-57-4
  • Cat. No. CS-W021410
  • Purity ≥98%
  • MDL No. MFCD00016507
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀O₄
  • Molecular Weight 242.23
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=CC=C1C(C2=CC=C(O)C=C2)=O

Description

This ortho-linked diacid features a hydroxylated aromatic ring fused to a benzoic acid scaffold, enabling dual hydrogen-bonding interactions and enhanced solubility in polar solvents. The phenolic hydroxyl group imparts redox activity and facilitates conjugation in synthetic pathways. Designed for use in pharmaceutical intermediates and ligand development, this compound delivers structural rigidity and precise spatial orientation for molecular assembly.

Application

2-(4-Hydroxybenzoyl)benzoic acid serves as a versatile building block for the synthesis of bioactive aromatic systems, leveraging its dual carboxylic acid and phenolic hydroxyl functionalities. The molecule enables straightforward derivatization via esterification, amidation, or ether formation, with excellent bench stability and ease of purification. Its ortho-linked aryl-carbonyl architecture supports efficient coupling reactions and facilitates the construction of complex heterocyclic scaffolds relevant to medicinal chemistry campaigns.

Synthesis

  • Route1

    References

    • CANCER RESEARCH TECHNOLOGY LIMITED Patent: WO2006/24837 A1, 2006 ; Location in patent: Page/Page column 74-75; 136 ; WO 2006/024837 A1
  • Route2
    • null|null
      85-44-9
    • ~%
    • In-stock
      Canagliflozin impurity 26|CS-W021410
      85-57-4

    References

    • Journal of the American Chemical Society, , vol. 46, p. 1647
  • Route3
    • 2-(4-Methoxybenzoyl)benzoic acid|CS-0232840
      1151-15-1
    • ~%
    • In-stock
      Canagliflozin impurity 26|CS-W021410
      85-57-4

    References

    • Annales de Chimie (Cachan, France), , vol. <11> 13, p. 317,374

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   2.3214
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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