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CS-W001157 4
Total: USD 88.00

3,5-Dimethylcyclopentane-1,2-dione

  • CAS No. 13494-07-0

  • Cat. No. CS-0238807
  • Purity≥98%
  • MDL No.None

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

3,5-Dimethylcyclopentane-1,2-dione|CS-0238807

Structure of 13494-07-0

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General Information

  • CAS No. 13494-07-0
  • Cat. No. CS-0238807
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) 3,5-Dimethyl-1,2-cyclopentanedione
  • SMILES CC1CC(C)C(=O)C1=O

Description

3,5-Dimethylcyclopentane-1,2-dione features a sterically hindered diketone core with methyl groups at the 3 and 5 positions, enhancing stability and modulating reactivity. This configuration imparts unique electronic properties suitable for asymmetric synthesis and as a building block in complex molecular architectures.

Application

3,5-Dimethylcyclopentane-1,2-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted cyclopentane scaffolds. Its diketone functionality supports diverse transformations including enolate alkylations, aldol condensations, and heterocycle formation. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and natural product research.

Synthesis

  • Route1
    • 4,5-Dioxo-Cyclopentane-1,3-dicarboxylic acid diethyl ester|CS-0766832
      10088-87-6
    • null|null
      74-88-4
    • ~%
    • In-stock
      3,5-Dimethylcyclopentane-1,2-dione|CS-0238807
      13494-07-0

    References

    • Tetrahedron, , vol. 19, # 12 p. 2039 - 2049
  • Route2
    • null|null
      2687-69-6
    • ~%
    • In-stock
      3,5-Dimethylcyclopentane-1,2-dione|CS-0238807
      13494-07-0

    References

    • Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , p. 417,422 Chem.Abstr., , p. 8021

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   0.8005
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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