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CS-W001157 4
Total: USD 88.00

2H-Pyran-3,5(4H,6H)-dione

  • CAS No. 61363-56-2

  • Cat. No. CS-W005641
  • Purity≥97%
  • MDL No.MFCD09032525

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

2H-Pyran-3,5(4H,6H)-dione|CS-W005641

Structure of 61363-56-2

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General Information

  • CAS No. 61363-56-2
  • Cat. No. CS-W005641
  • Purity ≥97%
  • MDL No. MFCD09032525
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆O₃
  • Molecular Weight 114.10
  • Synonym(s) Tetrahydropyran-3,5-dione
  • SMILES O=C(C1)COCC1=O

Description

2H-Pyran-3,5(4H,6H)-dione features a rigid, fused diketone core with high thermal stability and predictable reactivity in heterocyclic synthesis. This electron-deficient scaffold integrates readily into complex molecular architectures, serving as a key building block for bioactive compounds and functional materials.

Application

2H-Pyran-3,5(4H,6H)-dione serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted pyran derivatives through nucleophilic addition and cycloaddition reactions. Its diketone functionality offers predictable reactivity in standard condensation protocols, with high bench stability and straightforward purification. This compound functions effectively in the construction of bioactive scaffolds and natural product analogs, particularly in medicinal chemistry workflows requiring ortho-functionalized pyran cores.

Synthesis

  • Route1
    • Methyl (2-oxopropoxy)acetate|CS-0116678
      61363-66-4
    • ~75%
    • In-stock
      2H-Pyran-3,5(4H,6H)-dione|CS-W005641
      61363-56-2

    References

    • Li, Wenke; Wayne, Gregory S.; Lallaman, John E.; Chang, Sou-Jen; Wittenberger, Steven J. Journal of Organic Chemistry, 2006 , vol. 71, # 4 p. 1725 - 1727
  • Route2
    • Methyl 2-(prop-2-yn-1-yloxy)acetate|CS-0669806
      67500-49-6
    • ~%
    • In-stock
      2H-Pyran-3,5(4H,6H)-dione|CS-W005641
      61363-56-2

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 23 p. 6869 - 6887
  • Route3
    • null|null
      10041-27-7
    • ~%
    • In-stock
      2H-Pyran-3,5(4H,6H)-dione|CS-W005641
      61363-56-2

    References

    • Journal of Organic Chemistry, , vol. 71, # 4 p. 1725 - 1727

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H316-H318-H412
Precautionary Statements : P264-P270-P273-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   -0.4551
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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