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CS-W001157 4
Total: USD 88.00

1-(5-Bromo-2-fluorophenyl)ethanone

  • CAS No. 198477-89-3

  • Cat. No. CS-D0882
  • Purity≥97%
  • MDL No.MFCD11226880

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

1-(5-Bromo-2-fluorophenyl)ethanone|CS-D0882

Structure of 198477-89-3

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General Information

  • CAS No. 198477-89-3
  • Cat. No. CS-D0882
  • Purity ≥97%
  • MDL No. MFCD11226880
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO
  • Molecular Weight 217.04
  • Synonym(s) None
  • SMILES FC1=C(C(C)=O)C=C(Br)C=C1

Description

1-(5-Bromo-2-fluorophenyl)ethanone features a brominated and fluorinated aromatic core paired with a reactive ketone handle, enabling direct incorporation into Suzuki-Miyaura cross-coupling and nucleophilic addition workflows. This bench-stable compound serves as a key intermediate for bioactive molecule synthesis.

Application

1-(5-Bromo-2-fluorophenyl)ethanone serves as a versatile building block for the synthesis of biologically active molecules, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and fluoro substituents. The ketone functionality offers a handle for further transformations, including nucleophilic additions and enolate chemistry. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient integration into complex molecule assembly workflows.

Synthesis

  • Route1

    References

    • Alcon, Inc. Patent: US2006/142307 A1, 2006 ; Location in patent: Page/Page column 24 ; US 20060142307 A1
  • Route2
    • 5-Bromo-2-fluoro-N-methoxy-N-methylbenzamide|CS-0195469
      910912-20-8
    • null|null
      676-58-4
    • ~81%
    • In-stock
      1-(5-Bromo-2-fluorophenyl)ethanone|CS-D0882
      198477-89-3

    References

    • Andreini, Matteo; Banner, David; Guba, Wolfgang; Hilpert, Hans; Mauser, Harald; Mayweg, Alexander V.; Narquizian, Robert; Power, Eoin; Roger-Evans, Mark; Travagli, Massimiliano; Valacchi, Michela; Woltering, Thomas; Wostl, Wolfgang Patent: US2011/46122 A1, 2011 ; Location in patent: Page/Page column 31-32 ; US 20110046122 A1
  • Route3
    • null|null
      75-16-1
    • In-stock
      2-Fluoro-5-bromobenzaldehyde|CS-M3077
      93777-26-5
    • ~87%
    • In-stock
      1-(5-Bromo-2-fluorophenyl)ethanone|CS-D0882
      198477-89-3

    References

    • ALCON MANUFACTURING, LTD. Patent: US2007/149548 A1, 2007 ; Location in patent: Page/Page column 7 ;

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.7908
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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