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CS-W001157 4
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5,7-Difluoro-2,3-dihydro-1H-inden-1-one

  • CAS No. 84315-25-3

  • Cat. No. CS-W016043
  • Purity≥97%
  • MDL No.MFCD09908161

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

5,7-Difluoro-2,3-dihydro-1H-inden-1-one|CS-W016043

Structure of 84315-25-3

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General Information

  • CAS No. 84315-25-3
  • Cat. No. CS-W016043
  • Purity ≥97%
  • MDL No. MFCD09908161
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₂O
  • Molecular Weight 168.14
  • Synonym(s) 5,7-Difluoro-1-indanone
  • SMILES O=C1CCC2=C1C(F)=CC(F)=C2

Description

5,7-Difluoro-2,3-dihydro-1H-inden-1-one features a fluorinated indenone core with enhanced electron-withdrawing character due to the ortho-fluorine substituents. This bench-stable ketone integrates readily into synthetic sequences requiring electron-deficient aromatic systems, enabling efficient access to complex heterocycles and functionalized intermediates in medicinal chemistry and materials science applications.

Application

5,7-Difluoro-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocyclic scaffolds via standard functional group transformations. Its fused bicyclic structure provides rigidity and enhanced metabolic stability, while the difluoro substitution pattern offers favorable electronic and lipophilic properties for target-directed design. The ketone functionality facilitates nucleophilic additions and reductive amination protocols, and the compound exhibits good bench stability and ease of purification, making it well-suited for iterative synthetic campaigns in API development.

Synthesis

  • Route1

    References

    • Sharma, Anil K.; Subramani, Amutha V.; Gorman, Christopher B. Tetrahedron, 2007 , vol. 63, # 2 p. 389 - 395
  • Route2
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      95333-92-9
    • ~%
    • In-stock
      5,7-Difluoro-2,3-dihydro-1H-inden-1-one|CS-W016043
      84315-25-3

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 3 p. 399 - 408
  • Route3

    References

    • WO2003/99795 A1, ; Page 118 ; WO 03/099795 A1

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+H312+H332-H315-H319-H335-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-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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