Cas no 1228430-85-0 (6-methyl-3-phenylpicolinic acid)

6-Methyl-3-phenylpicolinic acid is a substituted picolinic acid derivative characterized by a methyl group at the 6-position and a phenyl ring at the 3-position of the pyridine core. This structural configuration imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, or metal complexes. The compound exhibits moderate solubility in polar organic solvents, facilitating its use in various reaction conditions. Its well-defined aromatic system and substitution pattern contribute to its utility in ligand design and catalytic applications. The product is typically supplied with high purity, ensuring reproducibility in research and industrial processes.
6-methyl-3-phenylpicolinic acid structure
1228430-85-0 structure
Product Name:6-methyl-3-phenylpicolinic acid
CAS No:1228430-85-0
MF:C13H11NO2
MW:213.231943368912
CID:2125583
PubChem ID:53485611
Update Time:2025-05-20

6-methyl-3-phenylpicolinic acid Chemical and Physical Properties

Names and Identifiers

    • 6-methyl-3-phenylpicolinic acid
    • 6-methyl-3-phenylpyridine-2-carboxylic acid
    • 1228430-85-0
    • 6-methyl-3-phenyl-2-pyridinecarboxylic acid
    • EN300-673598
    • SCHEMBL610009
    • 6-Methyl-3-phenylpyridine-2-carboxylicacid
    • LDCYXKJSDHWUNF-UHFFFAOYSA-N
    • DTXSID60704714
    • DB-083544
    • Inchi: 1S/C13H11NO2/c1-9-7-8-11(12(14-9)13(15)16)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
    • InChI Key: LDCYXKJSDHWUNF-UHFFFAOYSA-N
    • SMILES: OC(C1C(=CC=C(C)N=1)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 213.078978594Da
  • Monoisotopic Mass: 213.078978594Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 248
  • 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: 2.7
  • Topological Polar Surface Area: 50.2?2

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6-methyl-3-phenylpicolinic acid Related Literature

Additional information on 6-methyl-3-phenylpicolinic acid

Introduction to 6-methyl-3-phenylpicolinic acid (CAS No: 1228430-85-0)

6-methyl-3-phenylpicolinic acid, identified by the Chemical Abstracts Service Number (CAS No) 1228430-85-0, is a heterocyclic organic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound belongs to the pyridine carboxylic acid class, characterized by a pyridine ring substituted with a methyl group at the 6-position and a phenyl group at the 3-position, linked to a carboxylic acid moiety. The unique structural features of 6-methyl-3-phenylpicolinic acid make it a versatile scaffold for exploring novel biological activities and therapeutic potential.

The synthesis of 6-methyl-3-phenylpicolinic acid typically involves multi-step organic reactions, often starting from readily available pyridine derivatives. The introduction of the methyl and phenyl substituents requires precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to enhance the efficiency of these transformations. The structural integrity of the compound is crucial for its biological evaluation, necessitating rigorous analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) for confirmation.

In recent years, 6-methyl-3-phenylpicolinic acid has been studied for its potential pharmacological properties. Its molecular structure suggests possible interactions with various biological targets, making it a promising candidate for drug discovery. Preliminary in vitro studies have indicated that this compound may exhibit inhibitory effects on certain enzymes and receptors, which are relevant to metabolic disorders and inflammatory diseases. The phenyl group, in particular, has been shown to modulate binding affinity and selectivity, a critical factor in drug design.

One of the most intriguing aspects of 6-methyl-3-phenylpicolinic acid is its role as a precursor in the development of more complex derivatives. By modifying its functional groups or introducing additional heterocycles, researchers can generate novel molecules with enhanced biological activity. For instance, derivatives of this compound have been explored for their potential in treating neurological disorders, where precise targeting of neuronal pathways is essential. The versatility of 6-methyl-3-phenylpicolinic acid as a scaffold underscores its importance in medicinal chemistry.

The pharmacokinetic properties of 6-methyl-3-phenylpicolinic acid are also under investigation. Understanding how the body processes this compound is vital for optimizing its therapeutic use. Studies have begun to explore its absorption, distribution, metabolism, and excretion (ADME) profiles using both computational modeling and experimental methods. These insights are crucial for designing prodrugs or formulations that enhance bioavailability and reduce toxicity.

Furthermore, the environmental impact of 6-methyl-3-phenylpicolinic acid has not been overlooked. Research into its biodegradability and potential ecological effects is essential for ensuring sustainable practices in pharmaceutical development. Efforts are being made to synthesize this compound using greener methodologies, such as solvent-free reactions or catalytic processes that minimize waste generation.

The intersection of chemistry and biology has led to exciting discoveries involving 6-methyl-3-phenylpicolinic acid. Its ability to interact with biological systems at multiple levels makes it a valuable tool for understanding disease mechanisms and developing innovative treatments. As research progresses, new applications for this compound are likely to emerge, further solidifying its role in modern medicine.

In conclusion,6-methyl-3-phenylpicolinic acid (CAS No: 1228430-85-0) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structure, combined with its observed biological activities, positions it as a key molecule for future drug development. Continued investigation into its properties and applications will undoubtedly yield further advancements in health care.

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