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CS-W001157 4
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1-(5-Chloropyridin-2-yl)ethanone

  • CAS No. 94952-46-2

  • Cat. No. CS-0040244
  • Molecule weight155.58
  • Purity≥97%
  • MDL No.MFCD07375071

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

1-(5-Chloropyridin-2-yl)ethanone|CS-0040244

Structure of 94952-46-2

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General Information

  • CAS No. 94952-46-2
  • Cat. No. CS-0040244
  • Purity ≥97%
  • MDL No. MFCD07375071
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO
  • Molecular Weight 155.58
  • Synonym(s) 1-(5-chloro-2-pyridinyl)ethanone
  • SMILES CC(C1=NC=C(Cl)C=C1)=O

Description

1-(5-Chloropyridin-2-yl)ethanone features a chlorinated pyridine ring linked to an acetyl group, delivering a potent electrophilic site for nucleophilic substitution. This bench-stable ketone integrates readily into heterocyclic synthesis, serving as a key intermediate in medicinal chemistry and materials science applications.

Application

1-(5-Chloropyridin-2-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based scaffolds. Its acetyl group facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions, while the chloropyridine moiety offers compatibility with nucleophilic aromatic substitution and cross-coupling protocols. The compound exhibits excellent bench stability and is readily purified by recrystallization or column chromatography, making it ideal for high-throughput synthesis and process development.

Synthesis

  • Route1

    References

    • F2G LTD Patent: WO2005/92304 A2, 2005 ; Location in patent: Page/Page column 43 ;
  • Route2
    • In-stock
      5-Chloropicolinonitrile|CS-W019579
      89809-64-3
    • null|null
      75-16-1
    • ~64%
    • In-stock
      1-(5-Chloropyridin-2-yl)ethanone|CS-0040244
      94952-46-2

    References

    • ASTRAZENECA AB Patent: WO2008/39138 A1, 2008 ; Location in patent: Page/Page column 28 ; WO 2008/039138 A1
  • Route3
    • In-stock
      5-Chloro-N-methoxy-N-methylpicolinamide|CS-0047297
      342601-76-7
    • null|null
      75-16-1
    • ~%
    • In-stock
      1-(5-Chloropyridin-2-yl)ethanone|CS-0040244
      94952-46-2

    References

    • US6642237 B1, ; Page/Page column 224 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.9376
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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