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CS-W001157 4
Total: USD 88.00

6-Bromo-4-fluoro-2,3-dihydro-1H-inden-1-one

  • CAS No. 881189-74-8

  • Cat. No. CS-0041878
  • Purity≥97%
  • MDL No.None

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

6-Bromo-4-fluoro-2,3-dihydro-1H-inden-1-one|CS-0041878

Structure of 881189-74-8

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General Information

  • CAS No. 881189-74-8
  • Cat. No. CS-0041878
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrFO
  • Molecular Weight 229.05
  • Synonym(s) None
  • SMILES O=C1CCC2=C1C=C(Br)C=C2F

Description

6-Bromo-4-fluoro-2,3-dihydro-1H-inden-1-one features a fused bicyclic core with strategically positioned halogen substituents. The bromine at C6 and fluorine at C4 introduce distinct electronic and steric effects, enhancing reactivity in cross-coupling processes. This bench-stable ketone serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized aromatic systems.

Application

6-Bromo-4-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indene scaffolds via palladium-catalyzed cross-coupling reactions. The molecule combines orthogonal halogen handles—bromine at C6 and fluorine at C4—with a reactive ketone functionality, facilitating sequential functionalization. Bench-stable and compatible with standard reaction conditions, it supports the synthesis of complex heterocycles and bioactive molecules through modular transformations.

Safety Information

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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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