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CS-W001157 4
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6-Hydroxybenzofuran-2-carboxylic acid

  • CAS No. 334022-87-6

  • Cat. No. CS-0062590
  • Purity≥97%
  • MDL No.MFCD11101030

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

6-Hydroxybenzofuran-2-carboxylic acid|CS-0062590

Structure of 334022-87-6

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General Information

  • CAS No. 334022-87-6
  • Cat. No. CS-0062590
  • Purity ≥97%
  • MDL No. MFCD11101030
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₄
  • Molecular Weight 178.14
  • Synonym(s) 6-HYDROXY-BENZOFURAN-2-CARBOXYLIC ACID
  • SMILES O=C(O)C1=CC2=CC=C(O)C=C2O1

Description

6-Hydroxybenzofuran-2-carboxylic acid features a fused bicyclic core with strategically positioned hydroxyl and carboxylic acid groups, enabling direct integration into bioactive scaffolds. This arrangement supports hydrogen bonding and metal coordination, enhancing binding affinity in medicinal chemistry applications. The molecule exhibits favorable solubility and stability under standard conditions.

Application

6-Hydroxybenzofuran-2-carboxylic acid serves as a versatile building block for heterocyclic scaffolds in medicinal chemistry and materials science. The molecule combines a phenolic hydroxyl group with a carboxylic acid functionality, enabling straightforward derivatization via esterification, amidation, or ether formation. Its structural rigidity and defined polarity enhance solubility and chromatographic handling, making it suitable for iterative synthesis and high-throughput screening campaigns.

Synthesis

  • Route1
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      782503-79-1
    • ~0%
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      22065-03-8
    • In-stock
      6-Hydroxybenzofuran-2-carboxylic acid|CS-0062590
      334022-87-6

    References

    • Bailly, Fabrice; Maurin, Cedric; Teissier, Elisabeth; Vezin, Herve; Cotelle, Philippe Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 21 p. 5611 - 5618
  • Route2

    References

    • Bailly, Fabrice; Maurin, Cedric; Teissier, Elisabeth; Vezin, Herve; Cotelle, Philippe Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 21 p. 5611 - 5618
  • Route3
    • (Z)-4-(2,4-dimethoxybenzylidene)-2-methyloxazol-5(4h)-one|CS-0671972
      782503-75-7
    • ~%
    • In-stock
      6-Hydroxybenzofuran-2-carboxylic acid|CS-0062590
      334022-87-6

    References

    • Bailly, Fabrice; Maurin, Cedric; Teissier, Elisabeth; Vezin, Herve; Cotelle, Philippe Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 21 p. 5611 - 5618

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   70.67
  • LogP   1.8366
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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