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CS-W001157 4
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3,3-Dimethyl-2,3-dihydro-1H-inden-1-one

  • CAS No. 26465-81-6

  • Cat. No. CS-W013271
  • Purity≥98%
  • MDL No.MFCD01846169

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

3,3-Dimethyl-2,3-dihydro-1H-inden-1-one|CS-W013271

Structure of 26465-81-6

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General Information

  • CAS No. 26465-81-6
  • Cat. No. CS-W013271
  • Purity ≥98%
  • MDL No. MFCD01846169
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.22
  • Synonym(s) 3,3-Dimethyl-1-indanone
  • SMILES CC1(C)CC(=O)C2=CC=CC=C12

Description

This sterically hindered ketone features a fused bicyclic structure with a methyl-substituted indanone core, offering enhanced stability and defined reactivity in transition metal-catalyzed transformations. Its electron-deficient carbonyl site facilitates efficient nucleophilic addition and cycloaddition processes under mild conditions.

Application

3,3-Dimethyl-2,3-dihydro-1H-inden-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted indane and indenone scaffolds. Its stable ketone functionality tolerates diverse reaction conditions, facilitating nucleophilic additions, reductions, and coupling transformations. The sterically hindered dimethyl substitution enhances bench stability and simplifies purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      3350-78-5
    • null|null
      71-43-2
    • ~76%
    • In-stock
      3,3-Dimethyl-2,3-dihydro-1H-inden-1-one|CS-W013271
      26465-81-6

    References

    • Journal of Molecular Catalysis A: Chemical, , vol. 365, p. 203 - 211
  • Route2
    • In-stock
      3,3-Dimethylacrylic acid|CS-W011327
      541-47-9
    • null|null
      71-43-2
    • ~86%
    • In-stock
      3,3-Dimethyl-2,3-dihydro-1H-inden-1-one|CS-W013271
      26465-81-6

    References

    • Angewandte Chemie - International Edition, , vol. 52, # 37 p. 9796 - 9800 Angew. Chem., , vol. 125, # 37 p. 9978 - 9982,5
  • Route3
    • null|null
      3350-78-5
    • null|null
      71-43-2
    • ~38%
    • null|null
      69096-81-7
    • In-stock
      3,3-Dimethyl-2,3-dihydro-1H-inden-1-one|CS-W013271
      26465-81-6

    References

    • Journal of Molecular Catalysis A: Chemical, , vol. 365, p. 203 - 211

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5506
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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