2-(4-Methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)ethanone Product Profile and Data Sheet

What is 2-(4-Methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)ethanone?

2-(4-Methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)ethanone, a specialty organic compound, brings together a sulfophenyl group and a methyl-substituted pyridine ring through an ethanone backbone. This molecule falls under fine chemicals employed in pharmaceutical intermediates, agrochemical synthesis, and advanced material development. Scientific literature cites it for its role in structure-activity studies and scaffold engineering, critical steps in drug discovery. Everyday lab work often involves detailed characterization, given its complexity. Handling a substance like this means respecting its layered molecular architecture, which delivers both reactivity and stability in the hands of a skilled chemist.

Physical Properties and Forms

At room temperature, 2-(4-Methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)ethanone appears as a solid, either as powder or crystalline flakes based on preparation method and purity. Its color falls within the off-white to light yellow range. Compound density and melting point vary based on crystalline form and residual solvent content but generally line up with values in the broader class of substituted ethanones. Most labs report densities around 1.2 to 1.3 grams per cubic centimeter, with melting points registered across the upper 70s to low 90s degrees Celsius. In solution, its solubility profile depends on solvent polarity: it dissolves well in acetonitrile, DMSO, and moderately in ethanol. Laboratory routine often includes recrystallization, confirming batch purity against established melting points. Material safety protocols reflect its low vapor pressure and limited volatility at ambient conditions, so volatilization during regular handling rarely threatens worker safety, though benches require protection from spills.

Structural Formula and Molecular Characteristics

Chemists lay out the structure as a phenyl ring at the two position with a methylsulfonyl group attached at the para spot, linked via an ethanone to a pyridine ring with a methyl at the six position. The IUPAC name points straight to its configuration, mapping each functional group for clear identification. Its molecular formula comes out to C15H15NO3S. The compound’s exact mass and formula weight find use in analytical calculations, most precisely in analytical method development such as LC-MS and NMR spectroscopy where isotopic patterns matter. Core spectroscopic features stem from the sulfone group and aromatic scaffolding, translating to specific peaks in infrared and NMR analysis, which analysts rely on for authentication and impurity profiling.

Specifications and Quality Data

Lot certification requires meeting benchmarks for purity (typically above 98% by HPLC), residual solvent content (below 0.5% on GC), water (less than 0.3% by Karl Fischer titration), and heavy metal residues lower than 10 ppm. Particle size distribution ranges reflect synthesis and milling choices, with fine powders measured below 150 microns common for reaction integration. Moisture sensitivity remains modest—product sits safely in dry, sealed containers, away from direct sunlight or strong oxidizers. Batches exposed to poor storage take on clumps and show slow degradation, so quality managers keep close tabs on both storage and turnover to guarantee downstream reactions run cleanly. Color and odor account for non-instrumental inspection, though this molecule’s faint aroma rarely draws attention in the storeroom.

HS Code and Shipping Considerations

For regulatory and shipping classification, the HS Code most often assigned is 2933.39, covering heterocyclic compounds with nitrogen hetero-atoms. This code ensures smooth transit across international borders and flags material for customs inspections as a fine chemical, not a bulk commodity. Dry, leak-proof packaging in sealed PE bags inside fiber drums or sealed glass bottles stands as best practice. Shipping documentation must record batch number, gross and net weight, and explicit hazard labeling if required by the receiving country. Standard shipment involves ambient temperature freight, except in cases of extended transit periods during hot season, where insulated packaging avoids form changes or caking that threaten usability upon arrival.

Safety, Hazards, and Health Concerns

Working with 2-(4-Methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)ethanone calls for responsible safety practice. This substance, like most advanced organic chemicals, brings general risks. Inhalation of dust or accidental skin contact may cause mild irritation—chemical gloves, safety glasses, and particle masks make a regular appearance for good reason. While acute toxicological data remain limited in public literature, chemical suppliers classify it as potentially harmful if swallowed, so eating or drinking anywhere near the fume hood never gets tolerated. Material safety data sheets advise spills get absorbed with inert material, and any waste should hit the hazardous waste stream, not the drain. Storage in a cool, dry spot with proper ventilation lowers risk from accidental heating or spillage.

Applications and Raw Material Relevance

Real-world application stretches from chemical synthesis research to pilot-scale process chemistry. Medicinal chemists see this molecule as a versatile intermediate: the arylsulfone and pyridine functionalities serve as points for coupling, acylation, or further substitution. Raw material buyers demand close documentation for traceability—not only for regulatory satisfaction, but to backtrack any irregularities in downstream products. Its performance in multistep synthesis ties directly to the batch’s physicochemical purity, so labs seek detailed certificates of analysis and trace impurity breakdowns. Chemical stocks get replenished by suppliers familiar with compliance on both product documentation and transportation, since deviation risks failed reactions in costly campaigns.

Handling, Storage, and Waste

Everyday lab practice instructs opening containers with gentle tapping to minimize airborne dust, followed by dispensing within a ventilated hood. Waste collection bins, labeled for organic hazard, receive filter paper, gloves, or any secondary spill waste linked to usage. Working with a powdered solid presents unique risks: inhalable particles stick to benchtops, so wipes and vacuums rated for fine dust remain part of the daily chore cycle. Unused material returns to original sealed packaging, with batch logs tracking every withdrawal—which stands as the best way to trace quantity used in method trials or scale-up runs. Regular audits by lab staff ensure expired or discolored material never reaches experimental setups.

Environmental Fate, Regulatory, and Responsible Sourcing

Concerns on environmental impact drive ongoing conversations. Chemical suppliers now adopt greener synthesis routes and disclose explanations for any regulated impurity precursors. Disposal involves on-site incineration or treatment through permitted chemical waste contractors, never open pouring or landfill. Purchasing managers lean on established vendor certifications, such as ISO or Good Manufacturing Practice (GMP), to confirm compliance with tightening restrictions. Regulators urge the industry to present clearer hazard communication—up-to-date labels, safety data, hazard pictograms, and incident hotlines all make a difference in ensuring safe use from procurement down to final waste processing.

Conclusion: Practical Implications and Forward Steps

Every property and precaution outlined here supports safe, reliable integration of 2-(4-Methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)ethanone into research and manufacturing. Balancing innovation with responsible stewardship prompts continual improvement—better tracking, rigorous lot control, improved personal protective equipment, and cleaner synthesis all make lasting differences. Collaboration across supplier, lab manager, and regulatory staff raises standards in both science and safety, empowering new discoveries while respecting worker health and broader community welfare.