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CS-W001157 4
Total: USD 88.00

1-(2,4-Difluorophenyl)propan-1-one

  • CAS No. 85068-30-0

  • Cat. No. CS-W017703
  • Purity≥98%
  • MDL No.MFCD00015507

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

1-(2,4-Difluorophenyl)propan-1-one|CS-W017703

Structure of 85068-30-0

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General Information

  • CAS No. 85068-30-0
  • Cat. No. CS-W017703
  • Purity ≥98%
  • MDL No. MFCD00015507
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O
  • Molecular Weight None
  • Synonym(s) 2',4'-Difluoropropiophenone
  • SMILES CCC(C1=CC=C(F)C=C1F)=O

Description

1-(2,4-Difluorophenyl)propan-1-one features a fluorinated aromatic ring that imparts enhanced metabolic stability and lipophilicity. This ketone serves as a key intermediate in the synthesis of pharmaceuticals targeting CNS disorders, where its electron-deficient aryl moiety facilitates selective coupling reactions under mild conditions.

Application

1-(2,4-Difluorophenyl)propan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant scaffolds. Its difluorophenyl moiety enhances metabolic stability and modulates electronic properties, while the ketone functionality facilitates nucleophilic addition, reductive amination, and enolate-based transformations. The compound exhibits good bench stability and compatibility with standard synthetic protocols, facilitating straightforward incorporation into complex molecular architectures.

Synthesis

  • Route1
    • null|null
      372-18-9
    • null|null
      79-03-8
    • ~86%
    • In-stock
      1-(2,4-Difluorophenyl)propan-1-one|CS-W017703
      85068-30-0

    References

    • Gala, Dinesh; DiBenedetto, Donald J.; Mergelsberg, Ingrid; Kugelman, Max Tetrahedron Letters, 1996 , vol. 37, # 45 p. 8117 - 8120

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5575
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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