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CS-W001157 4
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1-(5-Fluoropyridin-3-yl)ethan-1-one

  • CAS No. 342602-55-5

  • Cat. No. CS-0046260
  • Molecule weight139.13
  • Purity≥97%
  • MDL No.None

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

1-(5-Fluoropyridin-3-yl)ethan-1-one|CS-0046260

Structure of 342602-55-5

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General Information

  • CAS No. 342602-55-5
  • Cat. No. CS-0046260
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO
  • Molecular Weight 139.13
  • Synonym(s) Ethanone,1-(5-fluoro-3-pyridinyl)-
  • SMILES CC(C1=CC(F)=CN=C1)=O

Description

1-(5-Fluoropyridin-3-yl)ethan-1-one features a fluorinated pyridine ring integrated with a ketone-functionalized ethyl side chain, delivering enhanced electron-withdrawing character and improved solubility in polar organic solvents. This scaffold enables efficient coupling reactions and serves as a key intermediate in the synthesis of bioactive heterocycles.

Application

1-(5-Fluoropyridin-3-yl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to pyridine-based scaffolds via nucleophilic addition and cross-coupling reactions. Its ketone functionality exhibits excellent bench stability and compatibility with diverse functional groups, facilitating straightforward purification and integration into multi-step syntheses. The fluorinated heterocyclic core provides enhanced metabolic stability and favorable physicochemical properties, making it a practical choice for lead optimization campaigns.

Synthesis

  • Route1
    • In-stock
      5-Fluoronicotinic acid|CS-W016443
      402-66-4
    • null|null
      75-16-1
    • ~28%
    • In-stock
      1-(5-Fluoropyridin-3-yl)ethan-1-one|CS-0046260
      342602-55-5

    References

    • PTC THERAPEUTICS, INC.; F. HOFFMANN-LA ROCHE AG; QI, Hongyan; CHOI, Soongyu; DAKKA, Amal; KARP, Gary, Mitchell; NARASIMHAN, Jana; NARYSHKIN, Nikolai; TURPOFF, Anthony, A.; WEETALL, Maria, L.; WELCH, Ellen; WOLL, Matthew, G.; YANG, Tianle; ZHANG, Nanjing; ZHANG, Xiaoyan; ZHAO, Xin; GREEN, Luke; PINARD, Emmanuel; RATNI, Hasane Patent: WO2013/119916 A2, 2013 ; Location in patent: Paragraph 001234 ;

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   29.96
  • LogP   1.4233
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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