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CS-W001157 4
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3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid

  • CAS No. 60031-08-5

  • Cat. No. CS-W018826
  • Purity≥96%
  • MDL No.MFCD02179295

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

3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid|CS-W018826

Structure of 60031-08-5

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General Information

  • CAS No. 60031-08-5
  • Cat. No. CS-W018826
  • Purity ≥96%
  • MDL No. MFCD02179295
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) 3-Oxoindane-5-carboxylic acid
  • SMILES O=C1CCC2=C1C=C(C(O)=O)C=C2

Description

This 3-oxo-2,3-dihydro-1H-indene-5-carboxylic acid features a rigid, electron-deficient indenone core paired with a carboxylic acid handle, enabling direct integration into synthetic scaffolds. The conjugated ketone and acidic functional group facilitate coupling reactions and serve as a structural motif in bioactive molecule design.

Application

3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted indene scaffolds. Its conjugated ketone and carboxylic acid functionalities support diverse transformations, including nucleophilic additions, decarboxylation pathways, and coupling reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Gruenenthal GmbH Patent: US2010/249095 A1, 2010 ; Location in patent: Page/Page column 68-69 ; US 20100249095 A1
  • Route2
    • 6-Bromo-2,3-dihydrospiro[indene-1,2'-[1,3]dioxolane]|CS-0193949
      866848-94-4
    • null|null
      124-38-9
    • ~%
    • In-stock
      3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid|CS-W018826
      60031-08-5

    References

    • WO2005/95387 A1, ; Page/Page column 60 ; WO 2005/095387 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P264-P270-P330-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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