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CS-W001157 4
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Indane-5-carboxylic acid

  • CAS No. 65898-38-6

  • Cat. No. CS-0130456
  • Purity≥98%
  • MDL No.None

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

Indane-5-carboxylic acid|CS-0130456

Structure of 65898-38-6

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General Information

  • CAS No. 65898-38-6
  • Cat. No. CS-0130456
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) Indan-5-carboxylic acid
  • SMILES O=C(O)C1=CC2=C(C=C1)CCC2

Description

Indane-5-carboxylic acid features a rigid, fused bicyclic scaffold that imparts structural stability and enhances metabolic resistance. The carboxylic acid group enables direct derivatization for peptide coupling or salt formation, while the indane core provides favorable lipophilicity and electronic properties for medicinal chemistry applications.

Application

Indane-5-carboxylic acid serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its rigid bicyclic framework provides structural diversity and metabolic stability, while the carboxylic acid functionality facilitates direct derivatization via amide, ester, or amidation reactions. The compound exhibits excellent bench stability and is compatible with standard coupling protocols, making it a practical choice for high-throughput synthesis and lead optimization campaigns.

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2008/141119 A2, 2008 ; Location in patent: Page/Page column 73 ; WO 2008/141119 A2
  • Route2
    • null|null
      201230-82-2
    • null|null
      143287-97-2
    • ~85%
    • In-stock
      Indane-5-carboxylic acid|CS-0130456
      65898-38-6

    References

    • Cacchi, Sandro; Lupi, Alessandro Tetrahedron Letters, 1992 , vol. 33, # 27 p. 3939 - 3942
  • Route3

    References

    • WO2008/95058 A1, ; Page/Page column 40 ;

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8735
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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