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CS-W001157 4
Total: USD 88.00

2-Ethylisonicotinonitrile

  • CAS No. 1531-18-6

  • Cat. No. CS-0169266
  • Purity≥98%
  • MDL No.None

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

2-Ethylisonicotinonitrile|CS-0169266

Structure of 1531-18-6

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General Information

  • CAS No. 1531-18-6
  • Cat. No. CS-0169266
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) None
  • SMILES N#CC1=CC=NC(CC)=C1

Description

2-Ethylisonicotinonitrile features a sterically hindered pyridine core with a nitrile group at the 2-position, enabling robust conjugation and enhanced electron-withdrawing character. This configuration supports efficient integration into heterocyclic scaffolds and facilitates transition-metal-catalyzed coupling reactions under standard conditions.

Application

2-Ethylisonicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted pyridine scaffolds through standard functional group transformations. Its nitrile group offers high stability and compatibility with diverse reaction conditions, facilitating subsequent derivatization via hydrolysis, reduction, or nucleophilic addition. The ethyl substituent provides steric and electronic modulation, enhancing utility in medicinal chemistry and catalyst design. This compound functions reliably in multi-step syntheses requiring bench-stable, orthogonally reactive intermediates.

Synthesis

  • Route1
    • 2-Ethylpyridine-4-carboxamide|CS-0127488
      3376-95-2
    • ~94%
    • In-stock
      2-Ethylisonicotinonitrile|CS-0169266
      1531-18-6

    References

    • Bose; Narsaiah Synthesis, 2001 , # 3 p. 373 - 375
  • Route2
    • Ethionamide Nicotinamide  Impurity|CS-0229409
      536-33-4
    • ~92%
    • In-stock
      2-Ethylisonicotinonitrile|CS-0169266
      1531-18-6

    References

    • Bose, D. Subhas; Jayalakshmi; Goud, P. Ravinder Synthesis, 1999 , # 10 p. 1724 - 1726
  • Route3
    • 2-Ethylisonicotinaldehyde|CS-0650806
      10349-60-7
    • ~94%
    • In-stock
      2-Ethylisonicotinonitrile|CS-0169266
      1531-18-6

    References

    • Dewan, Sharwan K.; Singh, Ravinder; Kumar, Anil Synthetic Communications, 2004 , vol. 34, # 11 p. 2025 - 2029

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.51568
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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