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CS-W001157 4
Total: USD 88.00

3-Methylisonicotinonitrile

  • CAS No. 7584-05-6

  • Cat. No. CS-0037320
  • Purity≥97%
  • MDL No.None

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

3-Methylisonicotinonitrile|CS-0037320

Structure of 7584-05-6

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General Information

  • CAS No. 7584-05-6
  • Cat. No. CS-0037320
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) 4-Cyano-3-picoline
  • SMILES CC1=CN=CC=C1C#N

Description

3-Methylisonicotinonitrile features a pyridine ring bearing a methyl group at the 3-position and a nitrile function at the 4-position, delivering enhanced solubility and stability in polar solvents. This electronic configuration supports efficient coupling reactions in synthetic routes to bioactive heterocycles.

Application

3-Methylisonicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds through cyclization and coupling reactions. Its nitrile and methyl groups offer orthogonal reactivity, facilitating functionalization via hydrolysis, nucleophilic addition, or electrophilic substitution. The compound exhibits good bench stability and compatibility with standard purification techniques, making it suitable for medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1
    • null|null
      1003-73-2
    • null|null
      151-50-8
    • ~32%
    • In-stock
      3-Methylisonicotinonitrile|CS-0037320
      7584-05-6

    References

    • NOVARTIS AG Patent: WO2008/122615 A1, 2008 ; Location in patent: Page/Page column 49 ; WO 2008/122615 A1
  • Route2
    • null|null
      931-19-1
    • ~%
    • In-stock
      3-Methylisonicotinonitrile|CS-0037320
      7584-05-6

    References

    • WO2004/46092 A2, ; Page 46-47 ; WO 2004/046092 A2
  • Route3
    • null|null
      1003-73-2
    • null|null
      773837-37-9
    • ~%
    • In-stock
      3-Methylisonicotinonitrile|CS-0037320
      7584-05-6

    References

    • WO2009/105717 A1, ; Page/Page column 29 ; WO 2009/105717 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 : 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   1.2617
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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