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

  • CAS No. 866862-25-1

  • Cat. No. CS-0041877
  • Purity≥96%
  • MDL No.MFCD18647721

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

5-Bromo-6-fluoro-2,3-dihydro-1H-inden-1-one|CS-0041877

Structure of 866862-25-1

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General Information

  • CAS No. 866862-25-1
  • Cat. No. CS-0041877
  • Purity ≥96%
  • MDL No. MFCD18647721
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrFO
  • Molecular Weight 229.05
  • Synonym(s) 1H-INDEN-1-ONE, 5-BROMO-6-FLUORO-2,3-DIHYDRO-
  • SMILES O=C1CCC2=C1C=C(F)C(Br)=C2

Description

5-Bromo-6-fluoro-2,3-dihydro-1H-inden-1-one features a sterically constrained indenone core with complementary halogen substituents. The bromine and fluorine atoms enable selective cross-coupling reactions, while the saturated ring system ensures stability under standard conditions. This scaffold serves as a key intermediate in the synthesis of bioactive molecules and functional materials.

Application

5-Bromo-6-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its ortho-halogenated indanone core enables palladium-catalyzed cross-coupling reactions with high functional group tolerance. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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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