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CS-W001157 4
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1-Indanone-5-carboxylic acid

  • CAS No. 3470-45-9

  • Cat. No. CS-W003043
  • Purity≥95%
  • MDL No.MFCD03411486

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

1-Indanone-5-carboxylic acid|CS-W003043

Structure of 3470-45-9

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General Information

  • CAS No. 3470-45-9
  • Cat. No. CS-W003043
  • Purity ≥95%
  • MDL No. MFCD03411486
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) 1-OXO-INDAN-5-CARBOXYLIC ACID
  • SMILES OC(=O)c1ccc2c(c1)CCC2=O

Description

1-Indanone-5-carboxylic acid features a fused bicyclic core with a carboxylic acid group at the 5-position, enabling direct functionalization in synthetic routes. The electron-deficient carbonyl and conjugated system facilitate nucleophilic additions and cycloadditions. This structure supports integration into pharmaceutical intermediates and advanced polymers under standard conditions.

Application

1-Indanone-5-carboxylic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted indanone scaffolds through standard functional group manipulations. Its carboxylic acid moiety facilitates direct amidation, esterification, and decarboxylative coupling reactions, while the ketone functionality supports nucleophilic addition and enolate-mediated transformations. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry, , vol. 27, p. 70 - 76
  • Route2
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      91880-84-1
    • ~%
    • In-stock
      1-Indanone-5-carboxylic acid|CS-W003043
      3470-45-9

    References

    • Journal of Organic Chemistry, , vol. 27, p. 70 - 76
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 27, p. 70 - 76

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   54.37
  • LogP   1.5137
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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