Cas no 13341-18-9 (3-Ethylisonicotinonitrile)

3-Ethylisonicotinonitrile is a specialized organic compound with the molecular formula C8H8N2, featuring an ethyl substituent on the isonicotinonitrile scaffold. This nitrile derivative is primarily utilized as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of heterocyclic compounds. Its structural framework enables efficient functionalization, making it valuable for constructing complex molecules. The compound exhibits stability under standard conditions and demonstrates compatibility with various reaction conditions, including cross-coupling and nucleophilic substitution. Its high purity and well-defined reactivity profile make it a preferred choice for researchers in medicinal chemistry and material science applications.
3-Ethylisonicotinonitrile structure
3-Ethylisonicotinonitrile structure
Product Name:3-Ethylisonicotinonitrile
CAS No:13341-18-9
MF:C8H8N2
MW:132.162521362305
MDL:MFCD13175867
CID:829160
PubChem ID:14863274
Update Time:2025-10-25

3-Ethylisonicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Ethylisonicotinonitrile
    • 3-ethylpyridine-4-carbonitrile
    • 3-ethyl-4-cyano pyridine
    • 3-Ethyl-4-cyan-pyridin
    • 3-Ethyl-4-pyridinecarbonitrile
    • 4-CYANO-3-ETHYLPYRIDINE
    • CL0167
    • MDL: MFCD13175867
    • Inchi: 1S/C8H8N2/c1-2-7-6-10-4-3-8(7)5-9/h3-4,6H,2H2,1H3
    • InChI Key: DTRNETTYKHGFAG-UHFFFAOYSA-N
    • SMILES: N1C=CC(C#N)=C(C=1)CC

Computed Properties

  • Exact Mass: 132.06900
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1

Experimental Properties

  • Density: 1.05
  • Boiling Point: 224 oC
  • Flash Point: 90 oC
  • PSA: 36.68000
  • LogP: 1.51568

3-Ethylisonicotinonitrile Security Information

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Additional information on 3-Ethylisonicotinonitrile

3-Ethylisonicotinonitrile: A Comprehensive Overview

CAS No. 13341-18-9, commonly referred to as 3-Ethylisonicotinonitrile, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound, with its unique structure and properties, has found applications in various industries, including pharmaceuticals, agrochemicals, and materials science. Recent advancements in research have further highlighted its potential as a versatile building block for synthesizing complex molecules.

The chemical structure of 3-Ethylisonicotinonitrile consists of an isonicotinonitrile backbone with an ethyl group attached at the third position. This substitution pattern imparts distinct electronic and steric properties to the molecule, making it highly reactive under certain conditions. The compound is characterized by its high stability, which makes it suitable for use in various chemical reactions without the risk of decomposition.

Recent studies have explored the use of CAS No. 13341-18-9 in the synthesis of bioactive compounds. For instance, researchers have utilized this compound as a precursor for developing novel antibiotics and anticancer agents. Its ability to undergo nucleophilic substitution reactions has been particularly valuable in these applications, enabling the creation of molecules with enhanced pharmacokinetic profiles.

In addition to its role in drug discovery, 3-Ethylisonicotinonitrile has also been employed in the development of advanced materials. Its ability to form stable coordination complexes with metal ions has led to its use in the synthesis of metal-organic frameworks (MOFs) and other porous materials. These materials have potential applications in gas storage, catalysis, and sensing technologies.

The synthesis of CAS No. 13341-18-9 involves a multi-step process that typically begins with the preparation of isonicotinonitrile derivatives. Recent optimizations in this synthesis pathway have improved yields and reduced production costs, making it more accessible for industrial applications. Researchers have also explored green chemistry approaches to synthesize this compound, such as using biocatalysts or solvent-free conditions.

The physical properties of 3-Ethylisonicotinonitrile, including its melting point, boiling point, and solubility, have been extensively studied to understand its behavior under different conditions. These studies have provided valuable insights into its suitability for various chemical processes and formulations.

In conclusion, CAS No. 13341-18-9, or 3-Ethylisonicotinonitrile, is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical properties and reactivity continue to make it a subject of interest for researchers worldwide. As advancements in synthetic methodologies and material science progress, the potential uses of this compound are expected to expand further.

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