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CS-W001157 4
Total: USD 88.00

3-Fluorooxan-4-one

  • CAS No. 624734-19-6

  • Cat. No. CS-0051355
  • Purity≥97%
  • MDL No.None

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

3-Fluorooxan-4-one|CS-0051355

Structure of 624734-19-6

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General Information

  • CAS No. 624734-19-6
  • Cat. No. CS-0051355
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇FO₂
  • Molecular Weight 118.11
  • Synonym(s) 4H-PYRAN-4-ONE, 3-FLUOROTETRAHYDRO-
  • SMILES FC1COCCC1=O

Description

3-Fluorooxan-4-one is a fluorinated oxanone derivative featuring a reactive ketone group and a strategically positioned fluorine atom. This combination imparts enhanced electrophilicity and metabolic stability, enabling efficient incorporation into complex molecular architectures. The compound serves as a key building block in the synthesis of fluorinated heterocycles and bioactive intermediates.

Application

3-Fluorooxan-4-one serves as a versatile synthon in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its constrained cyclic enone structure supports selective nucleophilic additions and facilitates regiocontrolled functionalization. The molecule exhibits good bench stability and compatibility with common protecting group strategies, making it valuable for building complex intermediates in API synthesis.

Synthesis

  • Route1
    • 4-Methoxy-3,6-dihydro-2H-pyran|CS-0172652
      17327-22-9
    • ~63%
    • In-stock
      3-Fluorooxan-4-one|CS-0051355
      624734-19-6

    References

    • MERCK and CO., INC. Patent: WO2005/110409 A2, 2005 ; Location in patent: Page/Page column 41 ; WO 2005/110409 A2
  • Route2
    • null|null
      1149374-63-9
    • ~%
    • In-stock
      3-Fluorooxan-4-one|CS-0051355
      624734-19-6

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 19, # 6 p. 1830 - 1834
  • Route3
    • 4,4-Dimethoxy-tetrahydro-4H-pyran|CS-0208114
      28218-71-5
    • ~%
    • In-stock
      3-Fluorooxan-4-one|CS-0051355
      624734-19-6

    References

    • WO2013/10453 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.3139
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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