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CS-W001157 4
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5-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one

  • CAS No. 881190-94-9

  • Cat. No. CS-0037657
  • Molecule weight184.60
  • Purity≥95%
  • MDL No.None

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

5-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one|CS-0037657

Structure of 881190-94-9

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General Information

  • CAS No. 881190-94-9
  • Cat. No. CS-0037657
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClFO
  • Molecular Weight 184.60
  • Synonym(s) 5-chloro-6-fluoro-2,3-dihydroinden-1-one
  • SMILES C1CC(=O)C2=C1C=C(C(=C2)F)Cl

Description

5-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one features a fused bicyclic core with complementary halogen substituents enabling precise tuning of reactivity. The electron-deficient carbonyl group pairs effectively with nucleophiles, while the fluorine and chlorine atoms enhance metabolic stability and modulate electronic distribution. This structure serves as a key scaffold in bioactive molecule synthesis.

Application

5-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one serves as a versatile synthetic building block for the construction of fluorinated heterocycles and bioactive scaffolds. Its ortho-halogenated indenone core enables efficient palladium-catalyzed cross-coupling reactions and facilitates electrophilic functionalization at the aromatic ring. The molecule exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthesis in medicinal chemistry campaigns.

Synthesis

  • Route1
    • 3-(3-Chloro-4-fluorophenyl)propanoic acid|CS-0070691
      881190-93-8
    • ~%
    • In-stock
      5-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one|CS-0037657
      881190-94-9
    • In-stock
      7-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-one|CS-0160486
      881190-95-0

    References

    • Astellas Pharma Inc. Patent: EP1795524 A1, 2007 ; Location in patent: Page/Page column 23 ; EP 1795524 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-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   2.608
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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