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CS-W001157 4
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3-Oxo-3-pyridin-3-yl-propionitrile

  • CAS No. 30510-18-0

  • Cat. No. CS-W003507
  • Purity≥98%
  • MDL No.MFCD08282797

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

3-Oxo-3-pyridin-3-yl-propionitrile|CS-W003507

Structure of 30510-18-0

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General Information

  • CAS No. 30510-18-0
  • Cat. No. CS-W003507
  • Purity ≥98%
  • MDL No. MFCD08282797
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O
  • Molecular Weight 146.15
  • Synonym(s) 3-pyridinepropanenitrile, beta-oxo-
  • SMILES N#CCC(=O)c1cccnc1

Description

3-Oxo-3-pyridin-3-yl-propionitrile features a conjugated pyridine-carboxamide motif with a nitrile group flanked by a ketone, enabling direct integration into heterocyclic scaffolds. This electron-deficient system facilitates nucleophilic addition and transition-metal-catalyzed coupling reactions under standard conditions.

Application

3-Oxo-3-pyridin-3-yl-propionitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of nitrogen-containing heterocycles and functionalized alkyl chains. Its dual functionality—pyridine ring and α,β-unsaturated nitrile—facilitates conjugate additions, cyclizations, and transition-metal-catalyzed couplings. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it valuable for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • Methyl nicotinate, ≥99%|CS-1269198
      93-60-7
    • null|null
      75-05-8
    • ~%
    • In-stock
      3-Oxo-3-pyridin-3-yl-propionitrile|CS-W003507
      30510-18-0

    References

    • WO2012/129258 A1, ; Page/Page column 150; 151 ; WO 2012/129258 A1
  • Route2
    • In-stock
      Ethyl nicotinate|CS-W014344
      614-18-6
    • null|null
      75-05-8
    • ~%
    • In-stock
      3-Oxo-3-pyridin-3-yl-propionitrile|CS-W003507
      30510-18-0

    References

    • Synthetic Communications, , vol. 29, # 2 p. 311 - 341
  • Route3
    • null|null
      59846-45-6
    • null|null
      75-05-8
    • ~%
    • In-stock
      3-Oxo-3-pyridin-3-yl-propionitrile|CS-W003507
      30510-18-0

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 1 p. 471 - 474

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   53.75
  • LogP   1.17798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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