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1-(2-Oxopropyl)pyridin-1-ium chloride

  • CAS No. 42508-60-1

  • Cat. No. CS-0179386
  • Molecule weight171.62
  • Purity≥98%
  • MDL No.MFCD00031949

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

1-(2-Oxopropyl)pyridin-1-ium chloride|CS-0179386

Structure of 42508-60-1

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General Information

  • CAS No. 42508-60-1
  • Cat. No. CS-0179386
  • Purity ≥98%
  • MDL No. MFCD00031949
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀ClNO
  • Molecular Weight 171.62
  • Synonym(s) pyridinium, 1-(2-oxopropyl)-
  • SMILES CC(C[N+]1=CC=CC=C1)=O.[Cl-]

Description

This pyridinium salt features a reactive ketone-bearing side chain, enabling direct conjugation to nucleophiles under mild conditions. The electrophilic carbonyl group facilitates efficient Michael additions and enamine formation, making it valuable for synthetic transformations in medicinal chemistry and chemical biology workflows.

Application

1-(2-Oxopropyl)pyridin-1-ium chloride serves as a versatile electrophilic acyl transfer reagent, enabling efficient α-acylation of enolizable carbonyl compounds and nucleophiles under mild conditions. Its pyridinium core provides excellent solubility and bench stability, while the ketone functionality offers compatibility with standard functional group manipulations. This reagent facilitates rapid access to β-keto carbonyl scaffolds commonly found in pharmaceutical intermediates and natural product syntheses.

Synthesis

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    • In-stock
      1-(2-Oxopropyl)pyridin-1-ium chloride|CS-0179386
      42508-60-1

    References

    • Nussbaum, Klaus; Hoffmann, Martina Patent: US2003/191349 A1, 2003 ; Location in patent: Page/Page column 5-6 ;

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-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   20.95
  • LogP   -2.4329
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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