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2-Bromo-1-(5-fluoro-2-methoxyphenyl)ethan-1-one

  • CAS No. 343-04-4

  • Cat. No. CS-0093673
  • Molecule weight247.06
  • Purity≥98%
  • MDL No.MFCD03425169

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

2-Bromo-1-(5-fluoro-2-methoxyphenyl)ethan-1-one|CS-0093673

Structure of 343-04-4

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General Information

  • CAS No. 343-04-4
  • Cat. No. CS-0093673
  • Purity ≥98%
  • MDL No. MFCD03425169
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrFO₂
  • Molecular Weight 247.06
  • Synonym(s) 2-Bromo-1-(5-fluoro-2-methoxyphenyl)ethanone
  • SMILES COC1=CC=C(F)C=C1C(CBr)=O

Description

2-Bromo-1-(5-fluoro-2-methoxyphenyl)ethan-1-one features a brominated ketone scaffold flanked by electron-withdrawing fluorine and methoxy substituents, enabling selective functionalization in cross-coupling reactions. This bench-stable reagent integrates readily into complex molecular architectures under standard conditions.

Application

2-Bromo-1-(5-fluoro-2-methoxyphenyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant scaffolds. The bromo ketone functions as a key intermediate in transition-metal-catalyzed cross-coupling reactions, offering high stability and ease of purification. Its ortho-fluoro and methoxy substituents provide predictable electronic modulation and enhanced functional group tolerance in downstream transformations.

Synthesis

  • Route1

    References

    • Shen, Li; Yang, Xiaochun; Yang, Bo; He, Qiaojun; Hu, Yongzhou European Journal of Medicinal Chemistry, 2010 , vol. 45, # 1 p. 11 - 18

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335-H412
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.4119
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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