Production Method 1

98-80-6

59786-31-1

850162-87-7

Reaction Conditions

1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Toluene ;  rt → reflux; 4 h, reflux; reflux → rt

Reference

9-Hydroxyazafluorenes and Their Use in Thrombin Inhibitors

Stauffer, Kenneth J.; et al, Journal of Medicinal Chemistry, 2005, 48(7), 2282-2293

Production Method 2

98-80-6

2459-09-8

850162-87-7

4634-14-4

Reaction Conditions

1.1 Reagents: Trifluoroacetic acid ,  Potassium persulfate Catalysts: Ferric nitrate Solvents: Water ,  Trifluorotoluene ;  10 min, rt
1.2 24 h, 50 °C

Reference

Iron-catalyzed direct C-H arylation of heterocycles and quinones with arylboronic acids

Deb, Arghya; et al, European Journal of Organic Chemistry, 2013, 2013(24), 5251-5256

methyl 3-phenylpyridine-4-carboxylate Raw materials

• Phenylboronic acid
• methyl 3-bromopyridine-4-carboxylate
• Methyl isonicotinate

methyl 3-phenylpyridine-4-carboxylate Preparation Products

• 4-Pyridinecarboxylicacid, 2-phenyl-, methyl ester (4634-14-4)
• methyl 3-phenylpyridine-4-carboxylate (850162-87-7)

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Comprehensive Overview of Methyl 3-Phenylpyridine-4-Carboxylate (CAS No. 850162-87-7): Properties, Applications, and Industry Insights

Methyl 3-phenylpyridine-4-carboxylate (CAS No. 850162-87-7) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique structural features. This ester derivative combines a pyridine core with a phenyl substituent and a carboxylate group, making it a versatile intermediate for synthesizing bioactive molecules. Its molecular formula C₁₃H₁₁NO₂ and precise chemical structure have been characterized through advanced analytical techniques like NMR and mass spectrometry, ensuring high purity for research applications.

Recent trends in drug discovery highlight the growing demand for heterocyclic compounds like methyl 3-phenylpyridine-4-carboxylate. Researchers are exploring its potential as a building block for kinase inhibitors and anti-inflammatory agents, aligning with the surge in interest around targeted therapies. The compound's lipophilicity and hydrogen bonding capacity make it particularly valuable in optimizing drug-like properties, a hot topic in medicinal chemistry forums and AI-driven molecular design platforms.

From a synthetic chemistry perspective, CAS 850162-87-7 demonstrates remarkable stability under standard laboratory conditions, with a melting point range of 98-102°C and solubility profiles favoring polar organic solvents. These characteristics have spurred innovations in green chemistry applications, where scientists are developing more sustainable esterification protocols. The compound's structure-activity relationships (SAR) are frequently discussed in computational chemistry circles, especially regarding molecular docking simulations for novel therapeutic targets.

Industrial applications of methyl 3-phenylpyridine-4-carboxylate extend beyond pharmaceuticals. The flavor and fragrance industry has investigated its derivatives for unique organoleptic properties, while material scientists examine its potential in coordination chemistry for advanced polymers. This multidisciplinary relevance addresses common search queries about multi-functional chemicals and high-value intermediates in specialty chemical markets.

Quality control protocols for 850162-87-7 typically involve HPLC purity verification (>98%) and rigorous spectroscopic characterization. The compound's shelf life and storage requirements (recommended at 2-8°C under inert atmosphere) are frequently asked about in laboratory management forums. Recent publications have optimized large-scale synthesis methods, reducing production costs while maintaining GMP compliance—a critical consideration for contract manufacturing organizations (CMOs).

Emerging research directions include exploring the photophysical properties of methyl 3-phenylpyridine-4-carboxylate derivatives for OLED applications, responding to growing interest in organic electronics. Patent analyses reveal increasing IP activity around modified versions of this compound, particularly for central nervous system (CNS) drug candidates. These developments position CAS 850162-87-7 as a compound of significant commercial and scientific interest in 2024.

Environmental and safety assessments confirm that methyl 3-phenylpyridine-4-carboxylate presents low ecotoxicity, making it suitable for sustainable chemistry initiatives. This aligns with current industry focus on green synthetic routes and benign-by-design principles. The compound's biodegradation pathways are actively studied, addressing regulatory concerns about persistent organic pollutants (POPs) in chemical manufacturing.

For researchers sourcing this material, technical specifications often emphasize the importance of isomeric purity and residual solvent content. Leading suppliers now provide detailed technical data sheets (TDS) with batch-specific chromatograms, responding to quality assurance demands in preclinical research. The global market for such fine chemicals is projected to grow at 6.2% CAGR through 2030, driven by expanding biopharmaceutical pipelines and custom synthesis requirements.

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