Cas no 1805274-05-8 (ClC1=C(C(=O)OC)C=CC(=N1)C(F)F)

The compound ClC1=C(C(=O)OC)C=CC(=N1)C(F)F is a halogenated heterocyclic molecule featuring a chloro-substituted pyridine or pyrimidine core with a carbomethoxy group and a difluoromethyl substituent. This structure suggests potential utility as an intermediate in pharmaceutical or agrochemical synthesis, where its electron-withdrawing groups (chloro and difluoro) may enhance reactivity or modulate biological activity. The ester functionality (C(=O)OC) offers a handle for further derivatization, while the nitrogen heterocycle provides a versatile scaffold for constructing complex molecules. Its stability and selective reactivity make it suitable for applications in medicinal chemistry or specialty chemical development.
ClC1=C(C(=O)OC)C=CC(=N1)C(F)F structure
ClC1=C(C(=O)OC)C=CC(=N1)C(F)F structure
Product Name:ClC1=C(C(=O)OC)C=CC(=N1)C(F)F
CAS No:1805274-05-8
MF:C8H6ClF2NO2
MW:221.588548183441
CID:4799207
Update Time:2025-05-25

ClC1=C(C(=O)OC)C=CC(=N1)C(F)F Chemical and Physical Properties

Names and Identifiers

    • ClC1=C(C(=O)OC)C=CC(=N1)C(F)F
    • Methyl 2-chloro-6-(difluoromethyl)pyridine-3-carboxylate
    • Inchi: 1S/C8H6ClF2NO2/c1-14-8(13)4-2-3-5(7(10)11)12-6(4)9/h2-3,7H,1H3
    • InChI Key: QFGLOJNNTSCGAE-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OC)C=CC(C(F)F)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 216
  • XLogP3: 2.3
  • Topological Polar Surface Area: 39.2

ClC1=C(C(=O)OC)C=CC(=N1)C(F)F Pricemore >>

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ClC1=C(C(=O)OC)C=CC(=N1)C(F)F Related Literature

Additional information on ClC1=C(C(=O)OC)C=CC(=N1)C(F)F

Comprehensive Overview of ClC1=C(C(=O)OC)C=CC(=N1)C(F)F (CAS No. 1805274-05-8)

The compound ClC1=C(C(=O)OC)C=CC(=N1)C(F)F, identified by its CAS No. 1805274-05-8, is a specialized chemical entity that has garnered significant attention in recent years due to its unique structural properties and potential applications. This molecule features a heterocyclic core with a combination of chlorine, fluorine, and ester functional groups, making it a subject of interest in fields such as pharmaceuticals, agrochemicals, and materials science. Its molecular formula and intricate bonding patterns contribute to its reactivity and versatility, which are key factors driving research and development efforts.

In the context of modern scientific inquiry, ClC1=C(C(=O)OC)C=CC(=N1)C(F)F is often discussed alongside topics like sustainable chemistry and green synthesis. Researchers are increasingly focused on minimizing environmental impact while maximizing efficiency, and this compound's potential for low-toxicity applications aligns well with these goals. Additionally, its fluorinated components make it relevant to studies on fluorine chemistry, a rapidly growing area due to the unique properties imparted by fluorine atoms in molecular structures.

The synthesis and characterization of CAS No. 1805274-05-8 involve advanced techniques such as nuclear magnetic resonance (NMR) spectroscopy and high-performance liquid chromatography (HPLC). These methods ensure precise identification and purity assessment, which are critical for its use in high-value applications. The compound's stability under various conditions is also a key area of investigation, particularly for industries requiring long shelf-life and consistent performance.

From a commercial perspective, ClC1=C(C(=O)OC)C=CC(=N1)C(F)F is often explored for its potential in drug discovery and material innovation. Its structural motifs are similar to those found in bioactive molecules, making it a candidate for pharmaceutical intermediates. Meanwhile, its fluorinated segments could contribute to the development of advanced materials with enhanced durability and resistance to degradation. These applications are particularly relevant in today's market, where there is a strong demand for novel solutions in healthcare and technology.

Another notable aspect of this compound is its role in catalysis and organic synthesis. Researchers are investigating its utility as a building block or catalyst in complex reactions, leveraging its electron-withdrawing groups to influence reaction pathways. This aligns with broader trends in chemistry, where there is a push toward more efficient and selective synthetic methods. The compound's potential to reduce waste and improve yields makes it a promising candidate for sustainable industrial processes.

In summary, ClC1=C(C(=O)OC)C=CC(=N1)C(F)F (CAS No. 1805274-05-8) represents a fascinating intersection of chemistry, innovation, and practicality. Its multifaceted applications and alignment with contemporary scientific priorities ensure its continued relevance in both academic and industrial settings. As research progresses, this compound is likely to play an increasingly important role in addressing some of the most pressing challenges in science and technology today.

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