3,5-pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester

    • Product Name: 3,5-pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester
    • Chemical Name (IUPAC): Diethyl 4-[2-[(E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
    • CAS No.: 132657-54-0
    • Chemical Formula: C25H29NO7
    • Form/Physical State: Liquid
    • Factroy Site: No.968 Jiangshan Rd., Nantong ETDZ, Jiangsu, China
    • Price Inquiry: sales7@boxa-chem.com
    • Manufacturer: Nantong Acetic Acid Chemical Co., Ltd.
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    Specifications

    HS Code

    986719

    Iupac Name 3,5-pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester
    Molecular Formula C29H35NO7
    Molecular Weight 509.59 g/mol
    Cas Number 133550-12-4
    Appearance White to off-white powder
    Solubility Soluble in organic solvents such as DMSO and methanol
    Boiling Point Decomposition before boiling
    Storage Conditions Store at -20°C, protected from light and moisture
    Chemical Class Pyridinecarboxylic acid derivative
    Smiles CCOC(=O)c1cnc(C)c(C=2C=CC=CC2C(=C/C(=O)OC(C)(C)C)/C=O)c1C
    Pubchem Cid 12954082
    Synonyms Diethyl 2,6-dimethyl-4-[2-[(E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

    As an accredited 3,5-pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle with tamper-evident cap, labeled with chemical name and hazard warnings, containing 10 grams of powdered compound.
    Container Loading (20′ FCL) Loaded in a 20′ FCL with secure pallets, moisture protection, and appropriate labeling for safe transport of chemical drums or cartons.
    Shipping This chemical is shipped in tightly sealed containers, compliant with safety regulations to prevent leaks or contamination. The package is clearly labeled with hazard information and handled as a laboratory chemical, protected from heat and moisture. Transport complies with local and international guidelines for non-flammable organic compounds.
    Storage Store 3,5-pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester in a tightly sealed container, protected from light and moisture, at a cool, dry, and well-ventilated location. Avoid exposure to heat, ignition sources, and incompatible substances such as strong oxidizers or acids. Ensure detailed labeling and restrict access to trained personnel.
    Shelf Life Shelf life: Store at 2–8°C, protected from light and moisture; stable for at least 2 years under recommended conditions.
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    Certification & Compliance
    More Introduction

    3,5-Pyridinedicarboxylic Acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, Diethyl Ester: Real-World Insight from a Chemical Manufacturer

    Understanding This Specialty Molecule—From Concept to Practical Use

    Among pyridinedicarboxylic acid derivatives, the 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester stands out in our product portfolio. With a complex molecular structure, this compound supports modern API intermediate synthesis, and life science research puts it to work where precision matters. We approach production as both challenge and craft. Every batch we run through our reactors tells a story of tight temperature control, solvent selection shaped by years in the field, and purification routes tuned by repeated experience.

    The molecule’s backbone—a pyridinedicarboxylic acid scaffold—remains a familiar sight in drug discovery labs. Adding the substituted phenyl vinyl ketone and ethyl ester functionalities improves its utility. Chemists look to this molecule where a sturdy yet flexible synthetic intermediate offers a way forward in building novel scaffolds. We designed our process to meet a need the industry feels acutely: how to balance high chemical reactivity with stability that survives storage and shipping. In our experience, stability during downstream processing can’t be taken for granted, especially as researchers demand longer shelf lives or faster synthesis routes.

    Learnings from Our Process—Trust the Details

    During scale-up, the molecule’s sensitivity became clear. Batch-to-batch consistency means everything, especially for pharmaceutical and materials clients who track every trace impurity. We built our controls around robust monitoring for each step, from condensation through protection and esterification. Chemists on our plant floor don’t trust theoretical yield projections alone; they monitor real headspace emissions for clues to runaway reactions or incomplete conversions. Even the choice of glass versus stainless steel reactors changes the impurity profile—and those decisions can show up months later in QC data.

    Few spec sheets discuss the simple problem of filtering out fine particulates from the finished compound, but we have spent more late nights perfecting filtration setups and filtration aid ratios than we care to admit. Each time, the learning echoes: this intermediate picks up trace iron faster than most, so glass-lined vessels give cleaner output. Ramp rates matter during esterification—too fast, and end-of-batch color rises. The best yields, it turns out, demand a slower touch, not just a heat-and-stir recipe.

    Distinguishing Features Compared to Other Pyridinedicarboxylic Acid Esters

    Most manufacturers can deliver standard methyl or simple ethyl esters of pyridine dicarboxylates. We went a different route out of necessity. The 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl] functionality gives greater electron density and a different lipophilic balance than you’d find in the unsubstituted analogues. In targeted pharmaceutical campaigns, that tweak opens up better reactivity with coupling partners—less raw material goes to waste in subsequent amide bond formations, especially those needing mild conditions.

    We see the contrast every week. Simple esters often fall short in yield or can’t handle mild hydrolysis, leading research teams to request new batches frequently. Ours lasts on shelves longer, with fewer complaints about brown-out or off-color impurities. In fact, one of our long-standing pharma customers reported a nearly 40% drop in purification steps after switching to our diethyl ester.

    The usual commercial variants lack flexibility in complex multi-step syntheses. Time in the field showed that extra methyl substitution at the pyridine core, paired with the unique vinyl ketone phenyl arm, lets researchers adjust downstream reactivity just enough to open new synthetic routes. Process chemists often overlook these subtleties until run times climb or side products dominate, but the real-world edge shows up in day-to-day work in our customer labs.

    Key Specifications—Not Just the Numbers, but What They Mean

    We measure purity not only by HPLC and GC, but also by how well customers’ end reactions run without tweaks. Across dozens of pilot runs, we refined our isolation technique so residual water content stays low. Too much water completely changes how this molecule handles in reactive environments. Our team starts with technical-grade solvents but finishes with extra-grade drying, so we hit both GMP and research standards.

    Typical melting points land in the expected range for diethyl pyridinecarboxylates, but we’ve observed—and logged—how even a few tenths higher or lower can signal a batch heading off spec. That means decisions early in the process, such as acid-chloride activator purity, have real effects people see at the bench downstream. The molecule’s UV absorbance gives formulation scientists a precise way to follow progress in real time. Some researchers use that window near 280 nm as a signature for intermediate tracking. This avoids guesswork on reaction endpoints, saving time during multi-step campaigns.

    Moisture sensitivity and long-term photostability matter for anyone planning large-scale storage. Our packaging team runs accelerated aging tests, stores reference lots for over a year, and updates the production protocol if even slight yellowing appears. Some batches destined for export move through temperature stress tests, because control over storage conditions across long distribution chains can’t always be assumed. The learning comes from hard experience—opting for foil-lined, inert atmosphere packaging avoids customer complaints months later.

    Application Profile—Designed for the Realities of Drug Discovery and Synthesis

    Major pharmaceutical companies drive much of our demand, mostly for use as a strategic building block in complex molecule assembly. Real-world research moves fast, and medicinal chemists insist on reliable intermediates. Our variant cuts unnecessary purification steps. With its dual methyl and ethyl ester substitutions paired with a vinyl ketone phenyl arm, the compound brings both reactivity and selectivity to peptide coupling, heterocycle expansion, and macrocycle synthesis.

    We see the greatest uptake where teams ask for flexibility. Small molecules, APIs, or even advanced materials fabrication benefit from this design. Our compound’s reactivity window handles mild to moderately strong base and acid conditions. Compared to simpler esters, fewer byproducts form during coupling, especially when aiming to add sensitive protecting groups or handle chiral substrates.

    Industry groups aiming to reduce process waste have praised its cleanup efficiency: easier work-ups and simplified crystallization saves solvent, labor, and scale-up risk. Years spent gathering user feedback showed us which parameters actually slow down or speed up development timelines. Reactivity in selective alkylation steps beats the standard ester alternatives, letting scientists iterate more rapidly between lead molecules.

    Differences That Matter—What Set the Product Apart in Practice

    From extensive bench-scale pilots to production runs, we see tangible differences between this and standard pyridinecarboxylate esters. Research teams find tighter spot resolution by TLC and fewer trailing impurities on chromatographs, even at concentrations above 95%. The structural complexity lets users target selectivity that would fail with generic variants.

    Beyond the chemistry, our team spends time with researchers—real conversations on where bottlenecks hit. Feedback focused on how our diethyl ester melts cleanly, controls color formation, and lowers reaction temperatures. These are not marketing points, but crucial factors in late-stage intermediate production, especially as labs tackle increasingly complex targets with shrinking budgets and timelines.

    Comparisons with commodity versions of diethyl pyridinedicarboxylates regularly point to ease of handling: ours flows better during large-scale transfer, cakes less, and resists clumping under changing humidity. People managing kilo batches care about these details, as lost time scraping drums or unclogging feeders multiplies quickly.

    On the analytical side, our in-house NMR and mass spec data document consistently lower levels of trace aldehyde and base-labile side products. We connect this directly to our chosen synthesis route—stepwise construction, full control of reagents, and no reliance on bulk commodity precursors prone to hidden contaminants.

    Our Commitment to Quality—Driven by End Users' Needs, Not Just Numbers

    Clients work with us directly on tailored supply needs, not via traders or distributors. We value the direct feedback loop, whether from bench chemists in Europe, pilot scale teams in India, or analytical managers in North America. Years watching order cycles, repeat batch requirements, and troubleshooting sessions has taught us where small improvements pay off most.

    Rather than pushing for the highest throughput possible, we stepped back and invested in process control automation, dedicated filtration lines, and specialty packaging for this diethyl ester. Each improvement followed customer-driven pain points, not generic industry guidelines.

    Staff training focused on understanding not just chemical identity, but batch history, impurity fingerprint, and the many variables that turn an acceptably pure intermediate into a true enabler of innovation in drug and material design. Whether it was a pharma QA director catching single-digit ppm differences in keto-aldehyde byproducts, or a synthetic chemist demanding custom lot splitting, we built our standard operating procedures around real requests, not just best guesses.

    Supporting Evidence and Industry Trends—Why This Molecule Grows in Value

    Pharmaceutical development keeps raising the bar for synthetic intermediates. With each wave of new drug candidates—especially in oncology and antiviral research—teams look for compounds that ease multi-step transformations. Regulatory guidelines, especially from major markets, increasingly demand evidence of advanced process control and impurity profiling. We see requests for full analytical support, including LC-MS, impurity maps, and custom reference standards, all of which we deliver as part of our commitment to both quality and transparency.

    The industry pushes for greener production with less waste and safer reagents. The decision to engineer our process with recyclable solvents and closed-system emissions capture did not stem from compliance alone, but from years of plant-level exposure to regulatory audits and customer sustainability pledges. For example, European partners prioritize detailed traceability reports alongside each batch, and our accumulated documentation has sped up approvals and tech transfers.

    Where off-the-shelf intermediates struggle, our product fills the gap—especially for teams scaling from gram to multi-kilo without needing to redesign their process chemistry. During the global supply chain disruptions, reliability and quality of specialty intermediates moved from “nice to have” to a baseline expectation. Repeat orders for our diethyl ester rose as teams shared internal cost data showing not just the direct material savings but headcount and timeline improvements downstream—a real measure of added value.

    Challenges and Our Solutions—Lessons Learned from the Manufacturing Line

    No manufacturing process runs perfectly without constant attention and willingness to adjust. Three years ago, we faced repeated unexpected upticks in residual base-labile byproducts, traced back to a change in supplier for a starting pyridine aldehyde. This discovery only surfaced through rigorous side-by-side NMR analysis and a cross-check against customer QA reports from three continents. Installing in-line analytics, doubling raw material QC, and switching to a more consistent upstream partner solved the problem.

    Batch scale-up brought its own lessons. Cooling rates during certain condensation steps led to increased color and lower downstream purity. We rebuilt our jacket control logic, retrained operators, and reduced temperature swings by using more accurate RTDs and better process automation software. That paid off with fewer off-spec lots, faster reproducibility, and more confidence for clients planning multi-ton requirements.

    Cleaning and maintenance protocols matter. Our predecessor lines struggled with metal leaching, especially as demand pressured us to reuse vessels rapidly. High-throughput doesn’t justify contamination risks, so we made the switch to full glass-lining for this grade. One might consider this obvious to any QC specialist, but cost and production realities always push back; after the switch, impurity complaints fell away, and clients mirrored this improvement in their own formulation yields.

    We support scale-up for customers, not just our own runs. More than once, clients called us in to troubleshoot unclear TLC streaking or unexpected byproducts. Our technical team visited sites, ran side-by-side diagnostic trials, and shared not just advice, but matched reference samples for comparison. These collaborations sharpened our technique and improved their processes—trust develops by rolling up sleeves, not sending out another brochure.

    The Road Ahead—New Opportunities for a Proven Compound

    Research trends keep expanding application possibilities for this compound. Beyond pharmaceuticals, teams exploring advanced polymers and catalysts find new reasons to prefer more complex pyridine dicarboxylate esters. Enhanced rigidity, electron-rich profiles, and tunable substitution patterns bring tangible benefits, whether in specialty resins or in fine-tuned agricultural chemistry projects.

    Internal data shows a rise in requests for custom derivatives based on the same core scaffold, pushing us to innovate both in synthesis and in analytical support. Intermediates once designed for a single pharma application now springboard into adjacent industries. The lesson holds: versatility in starting materials compounds innovative outcomes project after project.

    We believe future advances will track ongoing improvements in process safety, documentation, and batch traceability. Years of direct contact with research and production clients guide our path—feedback loops, technical troubleshooting, and a refusal to rush improvements before upstream consistency aligns with real downstream needs.

    As both manufacturer and partner, we shape each batch to meet the changing demands of advanced research and scalable manufacturing. Every bottle, every drum goes out carrying more than a compound: it represents continuous improvement forged in the lab, on the plant floor, and in conversation with those pushing the boundaries of modern chemistry.