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1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one

  • CAS No. 1111637-74-1

  • Cat. No. CS-0042075
  • Purity≥98%
  • MDL No.MFCD12024449

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

1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one|CS-0042075

Structure of 1111637-74-1

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General Information

  • CAS No. 1111637-74-1
  • Cat. No. CS-0042075
  • Purity ≥98%
  • MDL No. MFCD12024449
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrFNO
  • Molecular Weight 218.02
  • Synonym(s) 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone
  • SMILES CC(C1=CC(Br)=CN=C1F)=O

Description

1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one features a bromo-fluoro-substituted pyridine core paired with an acetyl group, delivering a reactive electrophilic handle for cross-coupling and cyclization reactions. This bench-stable ketone integrates readily into complex heterocyclic architectures under standard conditions.

Application

1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo and fluoro substituents. The ketone functionality offers direct access to functionalized pyridine scaffolds via nucleophilic addition or reduction. Its bench-stable nature and compatibility with standard synthetic workflows make it ideal for constructing complex heterocyclic intermediates in API development.

Synthesis

  • Route1
    • 1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-ol|CS-0109138
      1111637-73-0
    • ~61%
    • In-stock
      1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one|CS-0042075
      1111637-74-1

    References

    • PFIZER INC. Patent: WO2009/16460 A2, 2009 ; Location in patent: Page/Page column 54 ; WO 2009/016460 A2
  • Route2

    References

    • US2014/107109 A1, ;
  • Route3

    References

    • US2014/107109 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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.1858
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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