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CS-W001157 4
Total: USD 88.00

3-Pyridineacetonitrile

  • CAS No. 6443-85-2

  • Cat. No. CS-W009194
  • Purity≥98%
  • MDL No.MFCD00006406

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

3-Pyridineacetonitrile|CS-W009194

Structure of 6443-85-2

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General Information

  • CAS No. 6443-85-2
  • Cat. No. CS-W009194
  • Purity ≥98%
  • MDL No. MFCD00006406
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) Pyridine-3-acetonitrile
  • SMILES N#CCC1=CC=CN=C1

Description

3-Pyridineacetonitrile features a pyridine ring bearing a nitrile-functionalized alkyl side chain, enabling versatile coupling reactions. This electron-deficient heterocycle integrates readily into synthetic scaffolds for pharmaceuticals and agrochemicals. The nitrile group offers high reactivity in nucleophilic additions and conjugate processes. Bench-stable and moisture-tolerant, it handles efficiently under standard conditions.

Application

3-Pyridineacetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to pyridine-based heterocycles via nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its nitrile group offers high functional group tolerance and facilitates downstream transformations such as amidation or hydrolysis. The molecule exhibits excellent bench stability and ease of purification, making it well-suited for scale-up and routine synthetic workflows.

Synthesis

  • Route1
    • null|null
      117504-09-3
    • ~97%
    • In-stock
      3-Pyridineacetonitrile|CS-W009194
      6443-85-2

    References

    • Sakamoto; Katoh; Kondo; Yamanaka Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 6 p. 1513 - 1517
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 72, p. 1988 Journal of the American Chemical Society, , vol. 73, p. 5752,5756
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 38, # 6 p. 1513 - 1517

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

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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