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CS-W001157 4
Total: USD 88.00

3-Methoxyisonicotinonitrile

  • CAS No. 26414-90-4

  • Cat. No. CS-0063326
  • Purity≥97%
  • MDL No.MFCD13175841

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

3-Methoxyisonicotinonitrile|CS-0063326

Structure of 26414-90-4

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General Information

  • CAS No. 26414-90-4
  • Cat. No. CS-0063326
  • Purity ≥97%
  • MDL No. MFCD13175841
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 3-Methoxy-isonicotinonitrile
  • SMILES N#CC1=C(OC)C=NC=C1

Description

3-Methoxyisonicotinonitrile features a pyridine core bearing both methoxy and nitrile groups at meta positions, enabling versatile integration into heterocyclic scaffolds. This bench-stable derivative delivers enhanced solubility and electronic modulation for synthetic intermediates in medicinal chemistry and materials science applications.

Application

3-Methoxyisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds via cross-coupling and nucleophilic functionalization. Its ortho-directing nitrile and methoxy groups offer complementary reactivity for late-stage diversification. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • Sterling Winthrop Inc. Patent: US5294612 A1, 1994 ;
  • Route2

    References

    • Yuan, Yunyun; Elbegdorj, Orgil; Chen, Jianyang; Akubathini, Shashidhar K.; Zhang, Feng; Stevens, David L.; Beletskaya, Irina O.; Scoggins, Krista L.; Zhang, Zhenxian; Gerk, Phillip M.; Selley, Dana E.; Akbarali, Hamid I.; Dewey, William L.; Zhang, Yan Journal of Medicinal Chemistry, 2012 , vol. 55, # 22 p. 10118 - 10129
  • Route3
    • null|null
      124-41-4
    • In-stock
      3-Chloro-4-cyanopyridine|CS-W003228
      68325-15-5
    • ~81%
    • In-stock
      3-Methoxyisonicotinonitrile|CS-0063326
      26414-90-4

    References

    • Yuan, Yunyun; Elbegdorj, Orgil; Chen, Jianyang; Akubathini, Shashidhar K.; Zhang, Feng; Stevens, David L.; Beletskaya, Irina O.; Scoggins, Krista L.; Zhang, Zhenxian; Gerk, Phillip M.; Selley, Dana E.; Akbarali, Hamid I.; Dewey, William L.; Zhang, Yan Journal of Medicinal Chemistry, 2012 , vol. 55, # 22 p. 10118 - 10129

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   45.91
  • LogP   0.96188
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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