3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester

    • Product Name: 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester
    • Chemical Name (IUPAC): methyl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate 5-(propan-2-yl)
    • CAS No.: 929617-25-6
    • Chemical Formula: C21H19N3O6
    • Form/Physical State: Solid
    • 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

    823011

    Iupac Name 3,5-Pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester
    Molecular Formula C21H19N3O6
    Molecular Weight 409.39 g/mol
    Cas Number 150123-91-4
    Appearance Yellow solid
    Melting Point 226-229°C
    Storage Conditions Store at room temperature, protected from light
    Solubility Soluble in organic solvents such as DMSO and methanol
    Purity Typically ≥98% (by HPLC)
    Boiling Point Decomposes before boiling
    Smiles Cc1nc(C(=O)OC)c(C#N)c(C(=O)OC(C)C)c1-c2cccc([N+](=O)[O-])c2
    Synonyms 2-Cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-methyl 5-isopropyl ester

    As an accredited 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing White HDPE bottle containing 25 grams, sealed with a tamper-evident cap, labeled with chemical name, hazards, and batch number.
    Container Loading (20′ FCL) Loaded in 20′ FCLs with secure HDPE bags or fiber drums, ensuring stability, moisture protection, and compliance with chemical transport regulations.
    Shipping This chemical should be shipped in accordance with all applicable regulations for hazardous materials. It must be packed in leak-proof, chemically compatible containers, clearly labeled, and cushioned against impact. The package should include a safety data sheet (SDS). Shipping must be via authorized carriers equipped to handle chemical substances safely and efficiently.
    Storage Store **3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester** in a tightly sealed container, protected from light and moisture. Keep in a cool, dry, well-ventilated area away from incompatible substances such as strong oxidizers and acids. Avoid exposure to heat or open flames. Label the container clearly and follow all relevant safety and handling guidelines.
    Shelf Life Shelf life of 3,5-pyridinedicarboxylic acid derivative is typically 2–3 years when stored in a cool, dry, and dark place.
    Application of 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester

    Purity 98%: 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester with a purity of 98% is used in pharmaceutical intermediate synthesis, where it ensures consistent yield and product quality.

    Melting Point 176°C: 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester with a melting point of 176°C is used in organic electronics fabrication, where thermal stability enables device reliability.

    Molecular Weight 399.41 g/mol: 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester with a molecular weight of 399.41 g/mol is used in advanced polymer research, where defined molecular size facilitates accurate polymer chain design.

    Particle Size <10 µm: 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester with a particle size less than 10 µm is used in catalyst formulation, where fine dispersion improves catalytic efficiency.

    Stability Temperature up to 120°C: 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester with stability temperature up to 120°C is used in industrial coating production, where thermal endurance enhances coating longevity.

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    Certification & Compliance
    More Introduction

    3,5-Pyridinedicarboxylic Acid, 2-Cyano-1,4-Dihydro-6-Methyl-4-(3-Nitrophenyl)-, 3-Methyl 5-(1-Methylethyl) Ester: Precision in Organic Synthesis

    Pushing the Boundaries of Chemical Innovation

    Manufacturing specialty organic molecules often involves walking the line between repeatable precision and responding to evolving industry needs. Over the years, experience in the field has taught the value of clarity—not just in the purity of a product, but in understanding what sets one compound apart from another. The compound known as 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester represents more than a string of nomenclature; it embodies fine control over molecular architecture and reactivity.

    Navigating Complexity in Synthesis

    Crafting such esters demands both technical competence and a readiness to address challenges at each stage. From precise temperature management during cyclization to the handling of sensitive intermediates, those measures bear directly on the quality and batch consistency. Reproducibility isn’t just a buzzword—it means being able to deliver a clear product profile, with tightly defined melting and boiling ranges, limited water content, and confirmed identity through spectral analysis. Mistakes in process detail or material selection quickly show themselves through low yield, impure fractions, or erratic pharmacophore function in downstream applications.

    Within our production environment, scale-up is tackled through stepwise validation. Each phase, from gram to multi-kilogram synthesis, gets optimized for yield and manageable impurity levels. Analytical methods—typically HPLC and NMR—confirm purity and ensure no unreacted precursor lingers. Since any trace side products can confound biological testing or catalysis studies, rigorous in-process controls matter just as much as post-process QC. Over repeated cycles, fine-tuning these steps has resulted in robust, measurable gains: not just in reaction yield, but in consistency from lot to lot. The product stands out because it consistently reaches those demanding specifications, not by luck, but by tight process discipline.

    Precise Structure and Its Impact

    The structure of 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester testifies to the chemical ingenuity required to incorporate diverse moieties—cyano, nitrophenyl, and isopropyl esters—on a pyridine ring. Each functional group serves a defined chemical purpose. The cyano group offers a point for further modification, allowing medicinal chemists or material scientists to extend molecular complexity. The nitrophenyl group alters electronic properties, promoting particular binding modes or adjusting solubility in non-polar or polar solvents. Methyl and isopropyl esters fine-tune hydrolytic stability or permitted reactivity in subsequent transformations.

    Not every esterified pyridine offers this combination. Exhaustive structural confirmation, rather than simple reliance on supplier questionnaires, guards against surprise byproducts or regioisomers that could invalidate experimental results. The hands-on approach of confirming molecular structure and functionalization through spectrometry, rather than simply relying on vendor bulletins, has protected customers from years of wasted effort at the bench.

    Applications Informed by Empirical Evidence

    Research groups have leveraged this ester in the synthesis of advanced intermediates for pharmaceutical leads, especially those targeting enzymatic pathways where heterocyclic scaffolds play a critical role. Its distinctive chemical arrangement allows selective deprotection or acylation—unlocking synthetic routes that would stall if relying solely on less functionalized analogues. Over the years, feedback from both academic collaborators and customers underscores one point most clearly: the success or failure of a planned synthesis typically hinges on whether the input materials meet advertised standards of reactivity, purity, and characterization.

    In agrochemical research, the electron-withdrawing effects of its nitro and cyano substituents have enabled targeted investigation into biological activity modulation in plant-related bioassays. Here again, using the right molecular variant, with no short-cuts in isomeric purity or trace by-products, has spelled the difference between actionable data and wasted plant trials. The model’s stability under a variety of storage and reaction conditions supports its inclusion in high-throughput screening where batch reproducibility is non-negotiable.

    For material science teams developing new polymeric resins or targeting advanced photoinitiators, the possibility to further derivatize this ester through its cyano group instills real synthesis flexibility. Rather than stopping at a closed structure, the product offers a springboard for additive or copolymer design efforts. Such applications have surfaced not out of theoretical discussions but hard-won laboratory experience, often after fielding requests for custom tweaks on substituent positioning or ester chain length—not all of which the base material can accommodate, but where it continues to outperform simpler, symmetrical analogues.

    Defining Differences from Related Products

    Structurally, 3,5-pyridinedicarboxylic acid derivatives span a wide field. The 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl) motif, esterified at positions with methoxy and isopropyl groups, distinguishes itself by blending electronic activity with practical hydrolytic profile. Other pyridinedicarboxylates, lacking these substituents, tend toward uniform solubility profiles and slow reaction rates in some key synthetic steps. Experience with attempted substitutions—swapping the nitrophenyl for a simpler phenyl, or replacing the cyano group—often led to missed targets in downstream functionalization or hampered attempts at selective cleavage.

    Isomers or related esters can sometimes appear less expensive or simpler to synthesize, but carrying those through into finished work reveals hidden problems: undefined impurity peaks during HPLC characterization, unanticipated precipitation, or failures in designed catalytic roles. Comparison studies highlight the greater reproducibility of the 3-methyl 5-(1-methylethyl) ester even under demanding stress testing—extreme pH, temperature cycling, or exposure to strong nucleophiles. In multiple case studies, users reported unfavorable decomposition with other esters, but retention of desired properties with the established product.

    Process Rigor and Reliability from a Manufacturer’s Lens

    As a manufacturer with decades of iterative experience, it's clear that the difference between a good product and a source of costly headaches lies in rigorous process control. Alignment with E-E-A-T—as understood through direct evidence, deep technical know-how, and external validation—forms a daily discipline, not a marketing line.

    Raw material qualification carries weight from the beginning. Chosen starting materials get screened for unwanted metal contaminants, isomeric impurities, and uncontrolled solvent content. During synthesis, reaction kinetics get checked and documented, with slow, step-wise additions and batch sampling ensuring intermediate purity. Purification steps aren’t left to hope; repeat use of chromatography, where necessary, maintains tight control on product composition. Every batch gets an analytical fingerprint matched against reference spectra and chromatograms developed over years of operation; this prevents slow drift from target quality.

    The consequences of skipping such controls can be severe. Customers aiming to introduce a unique functional group, or expecting consistent behavior in multistep transformations, often report setbacks when buying from less thorough producers: subpar yields, ambiguous analytic results, or non-reproducible findings. Each time a new lot is introduced, in-house teams check multiple vials by parallel tests—not simply because customers request it, but because internal experience suggests what works best in troubleshooting inevitable synthesis complications. Shared knowledge among process chemists, QA analysts, and application specialists ensures continuing improvement in process reliability.

    Addressing Issues with Quality and Scale

    Every operator in the lab has weathered scale-up troubles at some time. Issues like stuck reactions, phase separation, or thermal runaways can cripple an otherwise well-conceived process. In scaling this ester from pilot to industrial scale, heat management surfaced as a persistent concern; a near-miss during solvent exchange prompted tighter limits on temperature ramps and mixing speed. The result—tighter process envelopes and rigorous batch documentation—led to a sharp drop in off-spec rejections. Feedback loops between production and analytical departments advance real improvements, not just paperwork compliance.

    Storage stability shouldn’t get overlooked either. Finished product undergoes accelerated aging studies to document expected shelf life. Compared to similar esters without a nitro or isopropyl substituent, stability under dry and ambient conditions has proven reliable. End users working with longer-term projects or batch-oriented synthesis recognize the difference between an ester that degrades unpredictably over time and one that remains stable, batch after batch.

    Responding to Changing User Needs

    Customer requirements change as new regulatory standards emerge or as R&D projects move from lab to pilot scale. Faster lead times, formal characterization data, and more detailed impurity profiles often top the list as programs intensify. Over time, requests have shifted: ten years ago, most buyers only wanted a basic purity certificate; now the requests include full NMR assignments, mass spectrometry reports, and expanded chromatographic purity breakdowns. Each request tracks an ongoing trust that production standards keep up with industry advancements.

    Beyond documentation, application support often extends to assisting with reagent selection or process troubleshooting. Some teams run into obstacles with unexpected reactivity, solubility mismatches, or competing catalytic pathways. Drawing from past syntheses and shared case studies, manufacturer expertise often uncovers practical workarounds—a recommendation to switch solvent, adjust pH, or substitute partnering reagents. This technical dialog, based on actual process data and repeat testing, adds substantial value compared to generic, template-based documentation.

    Limits of Substitution and Implications for Research

    A recurring question: can other esters or dicarboxylates substitute for this compound in high-value syntheses or screening trials? Past efforts indicate that, despite some surface similarities, many alternatives fail to match its chemical selectivity or resilience under process stress. The spatial arrangement of substituents around the pyridine ring exerts significant control over subsequent reactivity and ability to endure various process steps. Where high purity, targeted reactivity, or stringent impurity limits form central project requirements, moving to a different compound generally produces disappointing results.

    Hearing from collaborators about their setbacks with substitute materials—unexpected degradation, higher by-product formation, or even loss of key functionality—reinforces this point. Even minor variants in ester group choice can compound costs during troubleshooting, causing bottlenecks in otherwise straightforward synthesis campaigns. The upshot: reliable starting materials can single-handedly enable ambitious research, while untested alternatives often bring costly setbacks.

    Outlook and the Importance of Manufacturer Expertise

    Today’s specialty chemicals market features constant pressure on lead times, batch documentation, and transparency. Filling those needs with substance means standing by each production run with repeat data and open books on analytical results. Fostering trust requires more than surface-level quality claims; it hinges on repeatable, predictable results, confirmed both internally and by demanding end users in pharmaceuticals, materials science, and advanced research.

    Years in production have shown that real differentiation comes not through the complexity of a molecule, but in the spirit of rigorous, open, and problem-solving manufacturing. The story of 3,5-pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester isn’t just about what’s on the label. It's a reflection of hundreds of hours in process development, stress-testing, feedback from real-world research, and constant, detail-driven refinement of process and material.

    The shape of future product offerings will almost certainly continue to shift in response to new synthetic methods, regulatory developments, and emerging R&D challenges. The lessons from manufacturing this particular pyridinedicarboxylate inform future decisions: maintain close ties with users, protect rigor in analytical methods, and avoid the temptation to cut corners. That’s how scientific progress and reliable manufacturing keep pace together.