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CS-W001157 4
Total: USD 88.00

Chromane-2-carboxylic acid

  • CAS No. 51939-71-0

  • Cat. No. CS-0038563
  • Purity≥98%
  • MDL No.MFCD00044719

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

Chromane-2-carboxylic acid|CS-0038563

Structure of 51939-71-0

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General Information

  • CAS No. 51939-71-0
  • Cat. No. CS-0038563
  • Purity ≥98%
  • MDL No. MFCD00044719
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.19
  • Synonym(s) 2,3-dihydrobenzopyran 2-carboxylic acid
  • SMILES C1=CC=C2C(=C1)CCC(C(=O)O)O2

Description

Chromane-2-carboxylic acid features a fused chroman core with a carboxylic acid group at the 2-position, offering enhanced stability and solubility in polar solvents. This scaffold integrates readily into bioactive molecule frameworks, enabling efficient access to pharmacophores with antioxidant and kinase-inhibitory potential.

Application

Chromane-2-carboxylic acid serves as a versatile scaffold for the synthesis of bioactive heterocycles and functionalized aromatic systems. Its carboxylic acid group enables direct derivatization via esterification, amidation, or coupling reactions, while the chromane core provides structural rigidity and enhanced metabolic stability. The molecule exhibits good bench stability and facilitates efficient purification, making it suitable for medicinal chemistry campaigns and process-scale applications.

Synthesis

  • Route1

    References

    • Bayer Corporation Patent: US6469031 B1, 2002 ; US 6469031 B1
  • Route2
    • null|null
      66598-81-0
    • ~%
    • In-stock
      Chromane-2-carboxylic acid|CS-0038563
      51939-71-0

    References

    • WYETH Patent: WO2007/123941 A2, 2007 ; Location in patent: Page/Page column 59-61 ; WO 2007/123941 A2
  • Route3
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • ~%
    • In-stock
      Chromane-2-carboxylic acid|CS-0038563
      51939-71-0

    References

    • Bayer Corporation Patent: US6469031 B1, 2002 ; US 6469031 B1

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   1.4648
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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