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CS-W001157 4
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5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

  • CAS No. 1242157-14-7

  • Cat. No. CS-0033646
  • Purity≥95%
  • MDL No.MFCD17677343

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

5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one|CS-0033646

Structure of 1242157-14-7

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General Information

  • CAS No. 1242157-14-7
  • Cat. No. CS-0033646
  • Purity ≥95%
  • MDL No. MFCD17677343
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrFO
  • Molecular Weight 229.05
  • Synonym(s) 5-bromo-7-fluoro-2,3-dihydroinden-1-one
  • SMILES O=C1CCC2=CC(Br)=CC(F)=C21

Description

5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one features a rigid, electron-deficient indenone core with orthogonal halogen substituents enabling selective functionalization. This bench-stable ketone integrates readily into cross-coupling cascades and serves as a key building block for bioactive heterocycles and pharmaceutical intermediates.

Application

5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of substituted indane scaffolds. Its orthogonal halogen functionality facilitates palladium-catalyzed cross-coupling reactions, while the ketone group supports nucleophilic additions and reductive transformations. The molecule exhibits excellent bench stability and is amenable to standard purification techniques, making it ideal for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • 1-(4-Bromo-2-fluorophenyl)-3-chloropropan-1-one|CS-0314821
      395639-63-1
    • ~53%
    • In-stock
      5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one|CS-0033646
      1242157-14-7

    References

    • Aebi, Johannes; Binggeli, Alfred; Hertel, Cornelia; Konkar, Anish Ashok; Kuehne, Holger; Kuhn, Bernd; Maerki, Hans P.; Wang, Haiyan Patent: US2013/18055 A1, 2013 ; Location in patent: Paragraph 0324-0325 ;
  • Route2

    References

    • Aebi, Johannes; Binggeli, Alfred; Hertel, Cornelia; Konkar, Anish Ashok; Kuehne, Holger; Kuhn, Bernd; Maerki, Hans P.; Wang, Haiyan Patent: US2013/18055 A1, 2013 ;

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   17.07
  • LogP   2.7171
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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