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CS-W001157 4
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Chromane-3-carboxylic acid

  • CAS No. 115822-57-6

  • Cat. No. CS-0075942
  • Purity≥98%
  • MDL No.None

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

Chromane-3-carboxylic acid|CS-0075942

Structure of 115822-57-6

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General Information

  • CAS No. 115822-57-6
  • Cat. No. CS-0075942
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) Chroman-3-carboxylic acid
  • SMILES O=C(O)C1CC2=C(OC1)C=CC=C2

Description

Chromane-3-carboxylic acid features a fused chromane core with a carboxylic acid group at the 3-position, offering enhanced solubility and reactivity for synthetic applications. This scaffold integrates readily into bioactive molecule frameworks, particularly in antioxidant and kinase inhibitor development. The electron-rich aromatic system enables stable conjugation in transition metal-catalyzed couplings.

Application

Chromane-3-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 amide, ester, or acyl chloride formation, while the chromane core offers inherent stability and ortho-functionalization potential. The compound demonstrates excellent bench stability and compatibility with standard coupling protocols, facilitating efficient access to pharmaceutical intermediates and advanced synthetic building blocks in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • Mouysset, Genevieve; Payard, Marc; Grassy, Gerard; Tronche, Pierre; Dabire, Hubert; et al. European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 539 - 544
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 22, p. 539 - 544
  • Route3
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    • In-stock
      Chromane-3-carboxylic acid|CS-0075942
      115822-57-6

    References

    • European Journal of Medicinal Chemistry, , vol. 22, p. 539 - 544

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-H411
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.3223
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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