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CS-W001157 4
Total: USD 88.00

7-Fluorochroman-4-one

  • CAS No. 113209-68-0

  • Cat. No. CS-W004859
  • Purity≥95%
  • MDL No.MFCD06202344

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

7-Fluorochroman-4-one|CS-W004859

Structure of 113209-68-0

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General Information

  • CAS No. 113209-68-0
  • Cat. No. CS-W004859
  • Purity ≥95%
  • MDL No. MFCD06202344
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₂
  • Molecular Weight 166.15
  • Synonym(s) 7-fluoro-2,3-dihydro-4H-chromen-4-one
  • SMILES O=C1CCOC2=C1C=CC(F)=C2

Description

7-Fluorochroman-4-one features a fluorinated chroman core with a ketone at the 4-position, offering enhanced electron-withdrawing character and improved metabolic stability. This scaffold integrates readily into medicinal chemistry libraries, serving as a key building block for bioactive molecules in drug discovery programs.

Application

7-Fluorochroman-4-one serves as a versatile scaffold in medicinal chemistry, enabling efficient access to fluorinated heterocycles via standard functional group transformations. Its stability under routine reaction conditions and compatibility with palladium-catalyzed couplings facilitate downstream derivatization. The chromanone core provides a rigid, planar framework ideal for structure-activity studies, while the fluoro substituent enhances metabolic stability and modulates electronic properties.

Synthesis

  • Route1

    References

    • US2005/38032 A1, ; Page/Page column 30 ; US 20050038032 A1
  • Route2

    References

    • WO2008/151927 A2, ; Page/Page column 62 ;
  • Route3
    • null|null
      10026-13-8
    • 4-(3-Fluorophenoxy)butanoic acid|CS-0250664
      87411-27-6
    • ~%
    • In-stock
      7-Fluorochroman-4-one|CS-W004859
      113209-68-0

    References

    • US5521147 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 : 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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.7909
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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