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CS-W001157 4
Total: USD 88.00

6-Methyl-2,4-heptanedione

  • CAS No. 3002-23-1

  • Cat. No. CS-0095754
  • Purity≥96%
  • MDL No.MFCD00008939

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

6-Methyl-2,4-heptanedione|CS-0095754

Structure of 3002-23-1

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General Information

  • CAS No. 3002-23-1
  • Cat. No. CS-0095754
  • Purity ≥96%
  • MDL No. MFCD00008939
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) NSC 46469
  • SMILES CC(CC(CC(C)C)=O)=O

Application

6-Methyl-2,4-heptanedione serves as a versatile β-diketone building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds through cyclization reactions. Its well-defined reactivity facilitates metal-catalyzed condensations and enolate-mediated transformations, with demonstrated utility in the synthesis of pyrazoles, oxazoles, and other nitrogen-containing heterocycles. The molecule exhibits good bench stability and is amenable to standard purification techniques, supporting reliable use in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      59357-17-4
    • ~15%
    • In-stock
      6-Methyl-2,4-heptanedione|CS-0095754
      3002-23-1

    References

    • Advanced Synthesis and Catalysis, , vol. 351, # 11-12 p. 1842 - 1848
  • Route2
    • null|null
      108-22-5
    • null|null
      108-10-1
    • ~%
    • In-stock
      6-Methyl-2,4-heptanedione|CS-0095754
      3002-23-1

    References

    • Journal of the American Chemical Society, , vol. 74, p. 3228
  • Route3
    • In-stock
      tert-Butyl acetoacetate|CS-0006847
      1694-31-1
    • null|null
      108-12-3
    • ~56%
    • In-stock
      6-Methyl-2,4-heptanedione|CS-0095754
      3002-23-1

    References

    • Tetrahedron, , vol. 63, # 50 p. 12324 - 12342

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.5807
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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