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CS-W001157 4
Total: USD 88.00

1,4-Dioxaspiro[4.5]decan-7-one

  • CAS No. 4969-01-1

  • Cat. No. CS-0042324
  • Purity≥95%
  • MDL No.MFCD16039576

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

1,4-Dioxaspiro[4.5]decan-7-one|CS-0042324

Structure of 4969-01-1

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General Information

  • CAS No. 4969-01-1
  • Cat. No. CS-0042324
  • Purity ≥95%
  • MDL No. MFCD16039576
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₃
  • Molecular Weight 156.18
  • Synonym(s) 1,4-dioxaspiro[4.5]decan-9-one
  • SMILES O=C(CCC1)CC21OCCO2

Description

1,4-Dioxaspiro[4.5]decan-7-one features a rigid spirocyclic framework with two oxygen atoms at the bridgehead positions, imparting enhanced stability and defined spatial orientation. This structural motif enables precise molecular positioning in synthetic scaffolds, particularly useful in medicinal chemistry and natural product analogs. The ketone functionality supports downstream transformations including nucleophilic additions and reductive modifications.

Application

1,4-Dioxaspiro[4.5]decan-7-one serves as a versatile bicyclic building block in synthetic organic chemistry, enabling efficient access to spirocyclic architectures prevalent in bioactive molecules. Its rigid framework and embedded ketone functionality facilitate selective functionalization, while the ether linkages confer stability and compatibility with standard reaction conditions. This compound functions as a key intermediate in the construction of heterocyclic scaffolds and offers favorable handling characteristics for bench-scale synthesis.

Synthesis

  • Route1

    References

    • Morlender-Vais; Mandelbaum Journal of Mass Spectrometry, 1998 , vol. 33, # 3 p. 229 - 241
  • Route2
    • 1,4-Dioxaspiro[4.5]decan-7-ol|CS-0052725
      73223-83-3
    • ~89%
    • In-stock
      1,4-Dioxaspiro[4.5]decan-7-one|CS-0042324
      4969-01-1

    References

    • Vankar, Yashwant D.; Chaudhuri, Narayan C.; Rao, C. Trinadha Tetrahedron Letters, 1987 , vol. 28, # 5 p. 551 - 554
  • Route3
    • null|null
      159888-59-2
    • ~81%
    • In-stock
      1,4-Dioxaspiro[4.5]decan-7-one|CS-0042324
      4969-01-1

    References

    • Vankar, Yashwant D.; Reddy, M. Venkatram; Chaudhuri, Narayan C. Tetrahedron, 1994 , vol. 50, # 37 p. 11057 - 11078

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   35.53
  • LogP   0.8726
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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