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CS-W001157 4
Total: USD 88.00

5,6-Difluoro-2,3-dihydro-1H-inden-1-one

  • CAS No. 161712-77-2

  • Cat. No. CS-B0436
  • Purity≥97%
  • MDL No.MFCD07772125

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

5,6-Difluoro-2,3-dihydro-1H-inden-1-one|CS-B0436

Structure of 161712-77-2

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General Information

  • CAS No. 161712-77-2
  • Cat. No. CS-B0436
  • Purity ≥97%
  • MDL No. MFCD07772125
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₂O
  • Molecular Weight 168.14
  • Synonym(s) 5,6-Difluoroindan-1-one
  • SMILES O=C1C2=CC(F)=C(F)C=C2CC1

Description

5,6-Difluoro-2,3-dihydro-1H-inden-1-one is a fluorinated indenone derivative featuring two strategically positioned fluorine atoms that enhance electron-withdrawing character and metabolic stability. This bench-stable ketone integrates readily into synthetic routes requiring polarized carbonyl functionality, particularly in the construction of bioactive heterocycles and pharmaceutical intermediates.

Application

5,6-Difluoro-2,3-dihydro-1H-inden-1-one serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated heterocyclic scaffolds via standard coupling and cyclization reactions. Its ortho-fluorinated indenone core offers enhanced metabolic stability and favorable electronic properties for drug discovery applications. The compound exhibits good bench stability, facilitates straightforward purification, and demonstrates broad functional group tolerance in common synthetic 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   2.0937
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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