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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 1273595-81-5

  • Cat. No. CS-0012676
  • Purity≥97%
  • MDL No.MFCD18647854

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

6-Bromo-5-fluoro-2,3-dihydro-1H-inden-1-one|CS-0012676

Structure of 1273595-81-5

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General Information

  • CAS No. 1273595-81-5
  • Cat. No. CS-0012676
  • Purity ≥97%
  • MDL No. MFCD18647854
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrFO
  • Molecular Weight 229.05
  • Synonym(s) 6-bromo-5-fluoro-2,3-dihydroinden-1-one
  • SMILES O=C1CCC2=C1C=C(Br)C(F)=C2

Description

6-Bromo-5-fluoro-2,3-dihydro-1H-inden-1-one features a sterically constrained indenone core with complementary halogen substituents. The bromine and fluorine atoms at the 6- and 5-positions, respectively, enable selective functionalization in cross-coupling reactions. This bench-stable ketone serves as a key intermediate for synthesizing complex heterocycles and bioactive molecules in medicinal chemistry.

Application

6-Bromo-5-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, enabling late-stage functionalization via palladium-catalyzed cross-coupling reactions. The ortho-halogenated indenone scaffold offers enhanced stability and compatibility with diverse reaction conditions, facilitating efficient synthesis of substituted heterocycles and complex molecular architectures relevant to drug discovery programs.

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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