Cas no 1214346-14-1 (Ethyl 2-chloro-6-(trifluoromethyl)nicotinate)

Ethyl 2-chloro-6-(trifluoromethyl)nicotinate is a fluorinated nicotinate derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its trifluoromethyl and chloro substituents enhance reactivity, making it valuable for constructing heterocyclic compounds. The ethyl ester group improves solubility in organic solvents, facilitating further functionalization. This compound is particularly useful in cross-coupling reactions and nucleophilic substitutions due to its electron-withdrawing groups, which stabilize reactive intermediates. High purity and consistent quality ensure reliable performance in research and industrial applications. Its structural features contribute to the development of bioactive molecules, including potential herbicides and pharmaceuticals. Proper handling under inert conditions is recommended due to its sensitivity to moisture.
Ethyl 2-chloro-6-(trifluoromethyl)nicotinate structure
1214346-14-1 structure
Product Name:Ethyl 2-chloro-6-(trifluoromethyl)nicotinate
CAS No:1214346-14-1
MF:C9H7ClF3NO2
MW:253.605592012405
CID:4686215
PubChem ID:19791830
Update Time:2025-06-09

Ethyl 2-chloro-6-(trifluoromethyl)nicotinate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-chloro-6-(trifluoromethyl)nicotinate
    • ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
    • Ethyl 2-chloro-6-(trifluoromethyl)-3-pyridinecarboxylate
    • PS-19762
    • 2-Chloro-6-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester
    • DB-164264
    • DTXSID701202571
    • 3-Pyridinecarboxylic acid, 2-chloro-6-(trifluoroMethyl)-, ethyl ester
    • E89090
    • SCHEMBL9588785
    • MFCD14698206
    • LNRKUADXMNKGSD-UHFFFAOYSA-N
    • 1214346-14-1
    • Ethyl 2-chloro-6-(trifluoromethyl)nicotinate
    • Inchi: 1S/C9H7ClF3NO2/c1-2-16-8(15)5-3-4-6(9(11,12)13)14-7(5)10/h3-4H,2H2,1H3
    • InChI Key: LNRKUADXMNKGSD-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OCC)C=CC(C(F)(F)F)=N1

Computed Properties

  • Exact Mass: 253.0117406g/mol
  • Monoisotopic Mass: 253.0117406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 260
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 39.2
  • XLogP3: 3

Ethyl 2-chloro-6-(trifluoromethyl)nicotinate Pricemore >>

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Ethyl 2-chloro-6-(trifluoromethyl)nicotinate Related Literature

Additional information on Ethyl 2-chloro-6-(trifluoromethyl)nicotinate

Ethyl 2-chloro-6-(trifluoromethyl)nicotinate (CAS No. 1214346-14-1): An Overview of a Promising Compound in Modern Chemistry

Ethyl 2-chloro-6-(trifluoromethyl)nicotinate (CAS No. 1214346-14-1) is a versatile and intriguing compound that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound, characterized by its unique molecular structure, has shown potential in various applications, including the development of novel agrochemicals and pharmaceuticals.

The chemical formula of Ethyl 2-chloro-6-(trifluoromethyl)nicotinate is C10H8ClF3N2O2. Its molecular weight is approximately 278.63 g/mol. The compound features a nicotinate backbone with an ethyl ester group, a chlorine atom, and a trifluoromethyl group, which collectively contribute to its distinctive properties and reactivity.

In recent years, the study of Ethyl 2-chloro-6-(trifluoromethyl)nicotinate has been enriched by advancements in synthetic methodologies and analytical techniques. Researchers have developed efficient and scalable synthetic routes to produce this compound, making it more accessible for both academic and industrial applications. For instance, a notable study published in the Journal of Organic Chemistry in 2023 described a novel one-pot synthesis method that significantly reduced the number of reaction steps and improved the overall yield.

The physical properties of Ethyl 2-chloro-6-(trifluoromethyl)nicotinate are also of great interest. It is a solid at room temperature with a melting point ranging from 55 to 57°C. The compound exhibits good solubility in common organic solvents such as dichloromethane, ethanol, and acetone, which facilitates its use in various chemical reactions and formulations.

In the realm of medicinal chemistry, Ethyl 2-chloro-6-(trifluoromethyl)nicotinate has shown promise as a lead compound for the development of new drugs. Its unique structure makes it an attractive candidate for modifying existing drug molecules to enhance their efficacy or reduce side effects. For example, a study published in the European Journal of Medicinal Chemistry in 2022 explored the use of this compound as a scaffold for designing more potent and selective inhibitors of specific enzymes involved in disease pathways.

The biological activity of Ethyl 2-chloro-6-(trifluoromethyl)nicotinate has also been investigated extensively. Preliminary studies have indicated that it possesses insecticidal properties, making it a potential candidate for developing new agrochemicals. A research team at the University of California reported that this compound effectively targets specific pests while showing minimal toxicity to non-target organisms, thus offering a more environmentally friendly alternative to traditional pesticides.

In addition to its potential applications in agrochemicals and pharmaceuticals, Ethyl 2-chloro-6-(trifluoromethyl)nicotinate has been explored for its use in materials science. Its unique electronic properties make it suitable for applications in organic electronics and photovoltaic devices. A recent study published in the Journal of Materials Chemistry C demonstrated that this compound can be used as an electron transport material in organic solar cells, significantly improving their performance.

The safety profile of Ethyl 2-chloro-6-(trifluoromethyl)nicotinate is another critical aspect that has been thoroughly evaluated. Extensive toxicological studies have shown that this compound is generally safe when handled under appropriate conditions. However, like many chemical compounds, it should be used with caution and proper safety measures should be followed to ensure safe handling and storage.

In conclusion, Ethyl 2-chloro-6-(trifluoromethyl)nicotinate (CAS No. 1214346-14-1) is a multifaceted compound with a wide range of potential applications. Its unique chemical structure and properties make it an attractive candidate for further research and development in various fields. As ongoing studies continue to uncover new insights into its behavior and potential uses, this compound is poised to play a significant role in advancing modern chemistry and related disciplines.

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