Cas no 1060817-38-0 (2-Ethylpyrimidine-5-carbonitrile)

2-Ethylpyrimidine-5-carbonitrile is a heterocyclic organic compound featuring a pyrimidine core substituted with an ethyl group at the 2-position and a cyano group at the 5-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing nitrile group enhances its utility in nucleophilic substitution and cyclization reactions. Its well-defined molecular framework ensures consistent performance in applications such as the development of active pharmaceutical ingredients (APIs) and specialty chemicals. The compound is typically characterized by high purity and stability under standard storage conditions, facilitating its use in precision synthetic workflows.
2-Ethylpyrimidine-5-carbonitrile structure
1060817-38-0 structure
Product Name:2-Ethylpyrimidine-5-carbonitrile
CAS No:1060817-38-0
MF:C7H7N3
MW:133.150580644608
MDL:MFCD11053958
CID:1087489
PubChem ID:329776750
Update Time:2025-06-13

2-Ethylpyrimidine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Ethylpyrimidine-5-carbonitrile
    • 2-ETHYL-5-PYRIMIDINECARBONITRILE
    • 2-ethyl-5-pyrimidinecarbonitrile(SALTDATA: FREE)
    • MDL: MFCD11053958
    • Inchi: 1S/C7H7N3/c1-2-7-9-4-6(3-8)5-10-7/h4-5H,2H2,1H3
    • InChI Key: MIFBIJDNSKXRMG-UHFFFAOYSA-N
    • SMILES: N1C=C(C#N)C=NC=1CC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1

2-Ethylpyrimidine-5-carbonitrile Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xn

2-Ethylpyrimidine-5-carbonitrile Pricemore >>

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Additional information on 2-Ethylpyrimidine-5-carbonitrile

Comprehensive Overview of 2-Ethylpyrimidine-5-carbonitrile (CAS No. 1060817-38-0): Properties, Applications, and Industry Trends

2-Ethylpyrimidine-5-carbonitrile (CAS No. 1060817-38-0) is a specialized organic compound belonging to the pyrimidine family, a heterocyclic aromatic structure widely utilized in pharmaceuticals, agrochemicals, and material science. With its molecular formula C7H7N3, this compound features a pyrimidine core substituted with an ethyl group at the 2-position and a nitrile functional group at the 5-position. Its unique structural attributes make it a valuable intermediate in synthetic chemistry, particularly in the development of bioactive molecules and advanced materials.

The growing demand for nitrile-containing heterocycles in drug discovery has positioned 2-Ethylpyrimidine-5-carbonitrile as a compound of significant interest. Researchers frequently search for "pyrimidine derivatives in medicinal chemistry" or "synthesis of 2-substituted pyrimidines," reflecting its relevance in designing kinase inhibitors and antiviral agents. Recent studies highlight its potential in modulating protein-protein interactions, a hotspot in targeted cancer therapies and neurodegenerative disease research.

From a synthetic perspective, CAS 1060817-38-0 is often prepared via palladium-catalyzed cross-coupling reactions or nucleophilic substitution of halogenated pyrimidines. Industry professionals increasingly inquire about "scalable routes to 5-cyanopyrimidines" or "green chemistry approaches for nitrile synthesis," emphasizing the need for sustainable production methods. The compound's stability under physiological conditions also makes it attractive for prodrug development, a trending topic in pharmaceutical formulation.

In material science, 2-Ethylpyrimidine-5-carbonitrile serves as a precursor for conductive polymers and liquid crystals. Searches for "pyrimidine-based OLED materials" or "nitrile functionalized electronic components" correlate with its applications in flexible displays and organic photovoltaics. Its electron-withdrawing nitrile group enhances charge transport properties, making it valuable for optoelectronic device optimization—a key focus area in renewable energy technologies.

Analytical characterization of 1060817-38-0 typically involves HPLC purity assessment, NMR spectroscopy (notably 13C and 1H), and mass spectrometry. Quality control discussions frequently include "HPLC methods for pyrimidine analysis" or "spectral data interpretation of nitrile compounds." The compound's melting point (reported between 98-102°C) and solubility profile (moderate in polar aprotic solvents) are critical parameters for process chemists.

Regulatory and safety assessments confirm that 2-Ethylpyrimidine-5-carbonitrile requires standard laboratory precautions without special restrictions. This distinguishes it from controlled substances while maintaining its utility in research. Current patent landscapes reveal its incorporation in biodegradable agrochemicals, aligning with global trends toward environmentally friendly crop protection solutions—a subject generating searches like "green alternatives to traditional pesticides."

The commercial availability of CAS 1060817-38-0 through specialty chemical suppliers has expanded significantly since 2020, with pricing trends reflecting increased adoption in high-throughput screening libraries. Market analysts note rising queries about "bulk pricing for research chemicals" and "custom synthesis of heterocyclic nitriles," indicating robust demand across academic and industrial sectors.

Future applications may leverage the compound's structural versatility for metal-organic frameworks (MOFs) or covalent organic frameworks (COFs)—topics gaining traction in nanotechnology forums. As synthetic methodologies advance, particularly in flow chemistry systems, the accessibility and application scope of 2-Ethylpyrimidine-5-carbonitrile are expected to grow substantially in coming years.

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