Cas no 1346691-70-0 (Methyl 5-(3,4-difluorophenyl)nicotinate)

Methyl 5-(3,4-difluorophenyl)nicotinate is a fluorinated nicotinate ester with applications in pharmaceutical and agrochemical research. Its key structural features include a difluorophenyl group and a methyl nicotinate moiety, which enhance its utility as a versatile intermediate in organic synthesis. The presence of fluorine atoms improves metabolic stability and bioavailability, making it valuable for drug discovery. The ester group allows for further functionalization, enabling the synthesis of derivatives with tailored properties. This compound is characterized by high purity and consistent performance, ensuring reliability in research applications. Its well-defined structure and reactivity make it a preferred choice for developing bioactive molecules.
Methyl 5-(3,4-difluorophenyl)nicotinate structure
1346691-70-0 structure
Product Name:Methyl 5-(3,4-difluorophenyl)nicotinate
CAS No:1346691-70-0
MF:C13H9F2NO2
MW:249.212870359421
CID:1030074
PubChem ID:71304429
Update Time:2025-08-04

Methyl 5-(3,4-difluorophenyl)nicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(3,4-difluorophenyl)nicotinate
    • Methyl 5-(3,4-difluorophenyl)nicotite
    • methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
    • Methyl5-(3,4-difluorophenyl)nicotinate
    • DTXSID30745275
    • 1346691-70-0
    • Inchi: 1S/C13H9F2NO2/c1-18-13(17)10-4-9(6-16-7-10)8-2-3-11(14)12(15)5-8/h2-7H,1H3
    • InChI Key: WJRAHTAHMVAJLJ-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(=C1)C1C=NC=C(C(=O)OC)C=1)F

Computed Properties

  • Exact Mass: 249.06013485g/mol
  • Monoisotopic Mass: 249.06013485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 301
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 39.2?2

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Additional information on Methyl 5-(3,4-difluorophenyl)nicotinate

Methyl 5-(3,4-difluorophenyl)nicotinate (CAS No. 1346691-70-0): A Comprehensive Overview

Methyl 5-(3,4-difluorophenyl)nicotinate, identified by its Chemical Abstracts Service Number (CAS No.) 1346691-70-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of nicotinate derivatives, which are known for their diverse biological activities and potential therapeutic applications. The presence of fluorine atoms in its aromatic ring structure enhances its pharmacological properties, making it a subject of intense study for developing novel drugs.

The molecular structure of Methyl 5-(3,4-difluorophenyl)nicotinate consists of a nicotinic acid esterified with a methyl group at the carboxyl position and a 3,4-difluorophenyl substituent at the 5-position of the pyridine ring. This unique configuration imparts distinct chemical and biological characteristics that make it valuable in various research applications. The compound's stability under different conditions and its solubility in common organic solvents further enhance its utility in synthetic chemistry and drug formulation.

In recent years, there has been growing interest in exploring the pharmacological potential of fluorinated aromatic compounds. The introduction of fluorine atoms into organic molecules often leads to improved metabolic stability, enhanced binding affinity to biological targets, and increased bioavailability. Methyl 5-(3,4-difluorophenyl)nicotinate is no exception, as studies have demonstrated its potential in modulating various biological pathways. For instance, research has indicated that this compound may exhibit neuroprotective effects by interacting with specific neurotransmitter receptors and enzymes involved in brain function.

One of the most compelling aspects of Methyl 5-(3,4-difluorophenyl)nicotinate is its role in the development of novel therapeutic agents. Researchers have been investigating its potential as an intermediate in synthesizing more complex molecules with targeted pharmacological actions. The compound's ability to serve as a building block for drug candidates has made it a valuable asset in medicinal chemistry laboratories. Additionally, its structural features have been leveraged to design molecules that can selectively interact with disease-causing proteins or enzymes.

The synthesis of Methyl 5-(3,4-difluorophenyl)nicotinate involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and fluorination techniques, have been employed to achieve high yields and purity. These synthetic strategies not only highlight the compound's complexity but also showcase the advancements in synthetic organic chemistry that enable the production of such intricate molecules.

From a regulatory perspective, Methyl 5-(3,4-difluorophenyl)nicotinate is subject to standard guidelines for chemical substances used in research and pharmaceutical development. Ensuring compliance with safety protocols and environmental regulations is crucial during its handling, storage, and disposal. The compound's properties make it suitable for use in controlled laboratory settings where stringent measures are implemented to maintain safety and efficacy.

The ongoing research on Methyl 5-(3,4-difluorophenyl)nicotinate continues to reveal new insights into its potential applications. Studies have explored its interactions with various biological targets, including enzymes and receptors implicated in metabolic disorders, inflammation, and neurodegenerative diseases. These findings underscore the importance of fluorinated nicotinate derivatives as promising candidates for future drug development.

In conclusion, Methyl 5-(3,4-difluorophenyl)nicotinate (CAS No. 1346691-70-0) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features, combined with its biological activities, make it a valuable tool for developing novel therapeutic agents. As research progresses, this compound is expected to contribute further to advancements in drug discovery and medical science.

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