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Ethyl 2-((2,6-Difluorobenzyl)(Ethoxycarbonyl)Amino)-4-Methyl-5-(4-Nitrophenyl)Thiophene-3-Carboxylate BP EP USP Pharma Grade

What is Ethyl 2-((2,6-Difluorobenzyl)(Ethoxycarbonyl)Amino)-4-Methyl-5-(4-Nitrophenyl)Thiophene-3-Carboxylate?

Ethyl 2-((2,6-Difluorobenzyl)(Ethoxycarbonyl)Amino)-4-Methyl-5-(4-Nitrophenyl)Thiophene-3-Carboxylate comes forward as a complex organic molecule designed for strict pharmaceutical environments. This compound belongs to the class of thiophene carboxylates containing multiple aromatic rings, fluorine atoms, and both ethoxycarbonyl and nitrophenyl groups within its structure. From its appearance, you encounter it as a solid crystalline material, often showing up as flakes, powders, or sometimes as crystalline pearls depending on the batch process and storage conditions. In a typical setting, you want the pure pharma grade to meet United States Pharmacopeia (USP), British Pharmacopoeia (BP), and European Pharmacopoeia (EP) standards, so geometry and purity take priority over convenience.

Physical and Chemical Properties

The molecular formula stands as C22H18F2N2O5S; color usually ranges from pale beige to bright off-white, but exposes some subtle yellow shades in certain lighting, thanks to both the nitro and thiophene moieties. Formula weight comes out at 444.45 g/mol. This molecule holds a significant density, registering around 1.42 g/cm3 at standard temperature. You experience its distinctive crystalline texture when you touch the raw material directly, and even as a powder, it never loses that slight shimmer under a bright light. As a solid, the compound resists melting below 90°C but goes to a liquid state before 130°C depending on trace impurities. Handling large scale flake or pearl batches brings up the expected dust risk, so working with appropriate respirators and gloves can’t be ignored. In solution, you notice limited water solubility, yet it dissolves with moderate ease in organic solvents like methanol, ethanol, and DMSO, opening pathways for formulation teams who need it ready for further synthesis or clinical trial applications.

HS Code, Applications, and Safety

For shipping and international trade, use HS Code 29349900, which covers pharmaceutical organic compounds not elsewhere classified. The bulk of its demand comes from roles as a key intermediate in active pharmaceutical ingredient (API) synthesis, typically for anti-inflammatory or central nervous system medications. As with many organofluorine compounds, some underlying toxicity deserves attention: inhaling dust or fumes isn’t advisable; direct skin or eye contact leads to irritation for some handlers. Storage calls for a cool, dry, and shaded environment. While not classified as highly hazardous under GHS guidelines, you shouldn’t ignore the dangers. Combining nitrophenyl and fluorinated aromatic rings means that, in scale-up or waste disposal, teams must mitigate flammability and contain hazardous breakdowns—a lesson learned in every properly equipped process lab.

Structure and Analysis

The backbone of this molecule comes from thiophene, substituted at four positions. The 2-position carries the difluorobenzyl-ethoxycarbonylamino group, linking up the ethoxycarbonyl via an amide bond to the benzyl ring. Both fluorines at 2,6 positions on the benzyl increase electron density, making the group less reactive during side reactions. The 4-methyl and 5-(4-nitrophenyl) substitutions balance activity and solubility—factors that drive its interest for large-scale batches. Crystallographers observe a tightly packed structure with intermolecular hydrogen bonding, which translates to its notable persistence as a solid at room temperature and easy handling—rarely clumping even after weeks of storage.

Molecular Properties and Interactions

In analysis, long-term labwork with this carboxylate shows it stands firm through multiple purification cycles, crucial for companies who process kilograms at a time. Recrystallization from ethanol or isopropanol pulls high-purity product, while chromatography brings medical-grade standards where even a fraction of unreacted nitrophenyl can ruin a batch. Its solid nature makes it stable for transport, but exposure to sunlight or strong bases can degrade the nitrophenyl group—a known issue that prompts packing with UV-resistant containers and pH-neutral liners. If you’ve tried to handle impure lots, the sticky or oily texture proves why pharma grade matters.

Discussion: Raw Materials and Best Practices in Handling

Quality starts with raw materials: the difluorobenzylamine, ethyl chloroformate, methylthiophene, and nitrophenyl bromide all arrive with traceable certifications and safety data sheets on hand before first synthesis step begins. In my own time behind the fume hood, nothing adds value like real spectral data to verify each starting block—cutting corners here punishes you during purification. Tracking all lots, labeling hazardous containers, double-sealing flammable solvents, and posting emergency numbers brings real risk reduction, not just regulatory compliance.

Why Specification and Transparency Count

Pharmaceutical companies, researchers, and customs officers alike keep returning to clear, detailed product descriptions, not simply to tick off the boxes required by regulators, but to ensure no batch gets misused, misplaced, or mishandled. A small misreport on density, solubility, or hazard warnings leaves labs with unsafe conditions, or even worse, leads to unapproved product reaching patients. Long experience shows that well-maintained records prevent nearly every predictable problem from batch rejection to costly recalls, turning what might seem like tedious documentation into a foundation for trust and reliability across supply chains. Whether working in chemical development, pharmacy compounding, or material logistics, few things beat safe, well-labeled, thoroughly described chemicals that arrive as promised and perform without surprise.