Methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate stands out as a specialized chemical compound used in a range of organic syntheses and research settings. Scientists recognize this molecule for its unique structure featuring a pyrrole core, functionalized with a carboxylate group, a methoxy substituent at the fourth position, and a difluorophenyl group bonded at the fifth position. That combination gives the compound valuable properties for selective transformations and intermediate synthesis, particularly within pharmaceutical and materials science fields. This substance often arrives in the form of a solid, provided either as off-white flakes, fine crystalline powder, or sometimes in small pearl-like pieces, depending on the preparation conditions and storage methods.
This compound expresses a molecular formula of C13H9F2NO3, giving a molecular weight of about 265.21 g/mol. Density typically measures around 1.40 g/cm³, though conditions during handling and purification may shift the value slightly. The structural integrity persists at room temperature, with stability confirmed under common laboratory conditions out of direct sunlight and moisture. Under scrutiny, the substance demonstrates a crystalline solid form; whether as powders, granules, or flakes, the particles offer easy handling and blending with solvents or reagents needed in research or industrial processes. The melting point ranges close to 120-130°C, supporting applications in both high- and low-temperature synthetic scenarios. In liquid solutions, the compound dissolves best in polar organic solvents—ethyl acetate, DMF, and DMSO particularly—thanks to its polar functional groups and aromatic backbone.
That chemical backbone deserves attention for its thoughtful arrangement of atoms: the pyrrole ring enables strong resonance stabilization, contributing to the chemical’s reactivity in controlled environments. Fluorine atoms attached to the phenyl group add both lipophilicity and metabolic resistance—traits highly valued in drug design for boosting half-life and improving selectivity. The methoxy group, by introducing electron donation, shapes the compound’s reactivity towards electrophilic or nucleophilic additions, which is often harnessed in organic laboratories for the preparation of advanced intermediates with precise functionalization. Each functional group, strategically placed, transforms the molecule from just another pyrrole into a versatile building block from which more complex structures can grow.
Products based on this compound come with stringent purity standards. High-performance liquid chromatography (HPLC) reports often note purity exceeding 97%. Vendors usually guarantee low levels of moisture and minimal organic or inorganic impurities, ensuring reliable results during chemical reactions or material synthesis. Storage recommendations emphasize cool, dry environments away from incompatible materials such as oxidizing agents. The Harmonized System (HS) Code often associated with this compound falls under categories for organic chemicals, particularly those used as pharmaceutical intermediates; for example, many customs declarations use HS Code 2933, which encompasses heterocyclic compounds with nitrogen heteroatoms. Safe, legal shipment and usage depend on precise adherence to these codes, which streamline global chemical trade.
Direct skin or eye contact should always be avoided, even during routine laboratory work. This chemical can cause irritation after prolonged exposure, and inhalation of dust may bring on respiratory discomfort. I always use gloves, lab coats, and safety goggles, partially out of habit but more from experience dealing with aromatic intermediates. Though not flagged as extremely hazardous under most chemical safety databases, the compound’s fluorinated rings and carboxylate group mark it as potentially harmful if ingested or mishandled. Proper ventilation and dust control, especially during weighing or transfer, remain essential. All waste and spilled material should enter clearly labeled containers destined for controlled incineration or chemical treatment, minimizing any risk to workers and the environment.
Chemical manufacturers rely on this compound as a raw material in multi-step syntheses. Its selective reactivity supports the design of novel active pharmaceutical ingredients, agrochemical prototypes, and new materials for electronics or coatings. In medicinal chemistry, the difluorophenyl unit can boost target affinity, transition metal-catalyzed transformations leverage the stability of the pyrrole ring, while the methyl carboxylate makes for smooth coupling with other organic molecules. I have seen research teams use this chemical to generate analogs for testing enzyme inhibition, bioavailability, or metabolic properties, often producing small libraries for structure-activity relationship studies. In industry, it serves as a springboard toward more complex pyrazoles, substituted phenyl ethers, or custom polyaromatic crystals, its value apparent in both scale-up campaigns and bench-scale prototyping.
Fluorinated organics linger in soil and water, creating challenges for disposal and environmental safety. Engineers have developed thermal or catalytic treatments that break down persistent organic molecules, including those related to this compound. I know laboratories focusing on greener chemistry now adopt best-practices waste segregation to keep toxic byproducts isolated from general refuse streams. Closed-loop manufacturing, solvent recycling, and the creation of safer structural analogs—those are solutions steadily making this chemistry more sustainable. By tracking inventory tightly, limiting production to projected needs, and continuously improving process efficiency, companies can shrink their environmental footprint even without huge capital investment or complete process redesign.
Methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate illustrates the progress and responsibility found in today’s advanced material supply chain. The molecule brings real value through its structure, properties, and versatile use, but it also brings questions about safety, sustainability, and responsible stewardship—at every stage from laboratory bench to global distribution. Researchers, safety officers, and chemical engineers all play a role in maximizing the benefit and minimizing the risks of working with such specialized chemicals, ensuring outcomes that fit both technical progress and health standards.
