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CS-W001157 4
Total: USD 88.00

1-(4-Ethoxy-3-fluorophenyl)ethan-1-one

  • CAS No. 115104-57-9

  • Cat. No. CS-0313741
  • Molecule weight182.19
  • Purity≥98%
  • MDL No.MFCD11136881

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

1-(4-Ethoxy-3-fluorophenyl)ethan-1-one|CS-0313741

Structure of 115104-57-9

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General Information

  • CAS No. 115104-57-9
  • Cat. No. CS-0313741
  • Purity ≥98%
  • MDL No. MFCD11136881
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₂
  • Molecular Weight 182.19
  • Synonym(s) 1-(4-ethoxy-3-fluorophenyl)ethanone
  • SMILES CCOC1=C(C=C(C=C1)C(=O)C)F

Description

This ethyl ketone derivative features a 4-ethoxy-3-fluorophenyl moiety, offering enhanced solubility and stability in organic synthesis. The para-ethoxy and meta-fluoro substituents modulate electronic properties, enabling efficient coupling in transition-metal-catalyzed reactions. This bench-stable compound serves as a key building block for pharmaceutical intermediates and functional materials.

Application

1-(4-Ethoxy-3-fluorophenyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. Its ketone functionality facilitates nucleophilic addition, enolate formation, and coupling reactions, while the ethoxy and fluoro substituents offer predictable electronic and steric modulation. The compound exhibits good bench stability and is amenable to standard purification techniques, making it well-suited for iterative synthesis workflows in API development.

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 : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.427
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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