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CS-W001157 4
Total: USD 88.00

Methyl 1-oxoindan-6-carboxylate

  • CAS No. 68634-03-7

  • Cat. No. CS-D0130
  • Purity≥97%
  • MDL No.MFCD12761546

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

Methyl 1-oxoindan-6-carboxylate|CS-D0130

Structure of 68634-03-7

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General Information

  • CAS No. 68634-03-7
  • Cat. No. CS-D0130
  • Purity ≥97%
  • MDL No. MFCD12761546
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) Methyl 3-oxo-2,3-dihydro-1H-indene-5-carboxylate
  • SMILES O=C(C1=CC2=C(CCC2=O)C=C1)OC

Description

Methyl 1-oxoindan-6-carboxylate features a rigid, electron-deficient indanone core with a strategically positioned ester group. This configuration enables direct functionalization at the 6-position and facilitates integration into complex heterocyclic scaffolds. The compound exhibits excellent stability under standard conditions and serves as a key intermediate in the synthesis of bioactive molecules.

Application

Methyl 1-oxoindan-6-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to indane-based scaffolds through standard functional group manipulations. Its carboxylate functionality facilitates nucleophilic acyl substitution and decarboxylation protocols, while the ketone group supports enolization and conjugate addition reactions. The molecule exhibits good bench stability and is compatible with common protecting group strategies, making it well-suited for multi-step synthesis of complex heterocycles and bioactive intermediates.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Oxo-2,3-dihydro-1H-indene-5-carboxylic acid|CS-W018826
      60031-08-5
    • ~83%
    • In-stock
      Methyl 1-oxoindan-6-carboxylate|CS-D0130
      68634-03-7

    References

    • Gruenenthal GmbH Patent: US2010/249095 A1, 2010 ; Location in patent: Page/Page column 68 ; US 20100249095 A1
  • Route2
    • null|null
      1313762-39-8
    • ~98%
    • In-stock
      Methyl 1-oxoindan-6-carboxylate|CS-D0130
      68634-03-7

    References

    • Vautravers, Nicolas R.; Regent, Damien D.; Breit, Bernhard Chemical Communications, 2011 , vol. 47, # 23 p. 6635 - 6637
  • Route3

    References

    • Matveeva; Podrugina; Zefirova; Alekseev; Bachurin; Pellicciari; Zefirov Russian Journal of Organic Chemistry, 2002 , vol. 38, # 12 p. 1764 - 1768

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   43.37
  • LogP   1.6021
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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