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CS-W001157 4
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1-(2-Amino-2-oxoethyl)pyridin-1-ium chloride

  • CAS No. 41220-29-5

  • Cat. No. CS-0156736
  • Purity≥97%
  • MDL No.MFCD00032002

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

1-(2-Amino-2-oxoethyl)pyridin-1-ium chloride|CS-0156736

Structure of 41220-29-5

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General Information

  • CAS No. 41220-29-5
  • Cat. No. CS-0156736
  • Purity ≥97%
  • MDL No. MFCD00032002
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉ClN₂O
  • Molecular Weight 172.61
  • Synonym(s) 1-(Aminoformylmethyl)pyridinium chloride
  • SMILES O=C(N)C[N+]1=CC=CC=C1.[Cl-]

Description

This pyridinium salt features a reactive α-amino ketone moiety that enables direct conjugation with nucleophiles, facilitating site-specific bioconjugation in aqueous media. The charged pyridinium core enhances solubility and stability under physiological conditions, while the pendant amine serves as a handle for further functionalization.

Application

1-(2-Amino-2-oxoethyl)pyridin-1-ium chloride serves as a versatile pyridinium-based building block for the synthesis of bioactive heterocycles and functionalized amino acids. Its zwitterionic character enhances solubility and reactivity in polar media, enabling efficient nucleophilic substitution and conjugation reactions. The pendant amine and carbonyl groups support orthogonal functionalization, while the chloride counterion ensures stability and ease of handling. This compound functions effectively in peptide mimicry, catalytic system design, and scaffold elaboration within medicinal chemistry workflows.

Synthesis

  • Route1
    • null|null
      110-86-1
    • In-stock
      2-Chloroacetamide|CS-W011345
      79-07-2
    • ~96%
    • In-stock
      1-(2-Amino-2-oxoethyl)pyridin-1-ium chloride|CS-0156736
      41220-29-5

    References

    • Katritzky, Alan R.; Grzeskowiak, Nicholas E.; Alvarez-Builla, Julio Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 1180 - 1185
  • Route2

    References

    • Goehring, Wolfgang; Harrington, Peter John; Hodges, Lewis M.; Johnston, David A.; Rimmler, Goesta Patent: US2005/14792 A1, 2005 ; Location in patent: Page/Page column 6 ; US 20050014792 A1

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   46.97
  • LogP   -3.5366
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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