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CS-W001157 4
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2-Bromo-1-(2,6-dichlorophenyl)ethanone

  • CAS No. 81547-72-0

  • Cat. No. CS-0186560
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD03425177

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

2-Bromo-1-(2,6-dichlorophenyl)ethanone|CS-0186560

Structure of 81547-72-0

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General Information

  • CAS No. 81547-72-0
  • Cat. No. CS-0186560
  • Purity ≥98%
  • MDL No. MFCD03425177
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrCl₂O
  • Molecular Weight None
  • Synonym(s) 2-Bromo-2',6'-dichloroacetophenone
  • SMILES C1=CC(=C(C(=C1)Cl)C(=O)CBr)Cl

Application

2-Bromo-1-(2,6-dichlorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant heterocyclic scaffolds. Its bromo group facilitates palladium-catalyzed cross-coupling reactions, while the electron-withdrawing dichlorophenyl moiety enhances electrophilicity at the carbonyl center. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1

    References

    • Agouron Pharmaceuticals, Inc. Patent: EP1215208 A2, 2002 ; Location in patent: Example C(52) ; EP 1215208 A2
  • Route2

    References

    • Journal of Chemical Research, Miniprint, , # 4 p. 1073 - 1086

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.571
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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