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

  • CAS No. 1003048-72-3

  • Cat. No. CS-W022116
  • Purity≥97%
  • MDL No.MFCD17677340

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

4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one|CS-W022116

Structure of 1003048-72-3

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General Information

  • CAS No. 1003048-72-3
  • Cat. No. CS-W022116
  • Purity ≥97%
  • MDL No. MFCD17677340
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrFO
  • Molecular Weight 229.05
  • Synonym(s) 4-Bromo-7-fluoro-1-indanone
  • SMILES FC1=C2C(=O)CCC2=C(Br)C=C1

Description

4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one features a fused bicyclic core with complementary halogen substituents enabling selective functionalization. The electron-deficient indenone scaffold supports efficient coupling reactions, while the bromine and fluorine atoms provide orthogonal reactivity handles. This bench-stable compound integrates readily into synthetic sequences requiring precise spatial control and electronic tuning.

Application

4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indenone scaffolds. Its bromo and fluoro substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and electrophilic functionalization. The dihydroindene core offers structural rigidity and favorable metabolic stability, facilitating downstream derivatization in API development. Bench-stable and readily purified by chromatography, it supports scalable synthesis workflows.

Synthesis

  • Route1

    References

    • US2013/158067 A1, ; Paragraph 0540 ;

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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