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CS-W001157 4
Total: USD 88.00

4-Pyridylacetonitrile

  • CAS No. 13121-99-8

  • Cat. No. CS-0130528
  • Purity≥96%
  • MDL No.None

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

4-Pyridylacetonitrile|CS-0130528

Structure of 13121-99-8

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General Information

  • CAS No. 13121-99-8
  • Cat. No. CS-0130528
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) 2-(Pyridin-4-YL)acetonitrile
  • SMILES N#CCC1=CC=NC=C1

Description

4-Pyridylacetonitrile features a pyridine ring conjugated to an acetonitrile-bearing side chain, enabling versatile coupling reactions. This electron-deficient heterocycle integrates readily into synthetic scaffolds, offering enhanced solubility and stability under standard conditions.

Application

4-Pyridylacetonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds and functionalized pyridine derivatives. Its nitrile group facilitates nucleophilic additions and subsequent transformations, while the pyridyl moiety provides a stable, electron-deficient platform for cross-coupling reactions. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for medicinal chemistry campaigns and process development.

Synthesis

  • Route1
    • null|null
      1120-87-2
    • null|null
      75-05-8
    • ~47%
    • In-stock
      4-Pyridylacetonitrile|CS-0130528
      13121-99-8

    References

    • Skerlj; Bogucki; Bridger Synlett, 2000 , # 10 p. 1488 - 1490
  • Route2
    • null|null
      143-33-9
    • In-stock
      4-(Chloromethyl)pyridine hydrochloride|CS-W016094
      1822-51-1
    • ~87%
    • In-stock
      4-Pyridylacetonitrile|CS-0130528
      13121-99-8

    References

    • Hung; Werbel Journal of Heterocyclic Chemistry, 1984 , vol. 21, # 3 p. 741 - 744
  • Route3
    • null|null
      151-50-8
    • In-stock
      4-(Chloromethyl)pyridine hydrochloride|CS-W016094
      1822-51-1
    • ~32%
    • In-stock
      4-Pyridylacetonitrile|CS-0130528
      13121-99-8

    References

    • Borne, Ronald F.; Aboul-Enein, Hassan Y. Journal of Heterocyclic Chemistry, 1980 , vol. 17, p. 1609 - 1611

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   36.68
  • LogP   1.14768
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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