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Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate

    • Product Name Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate
    • Alias Isobutylfenproporex
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    574049

    Chemicalname Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate
    Casnumber 850912-46-2
    Molecularformula C17H18N2O3S
    Molecularweight 330.40 g/mol
    Appearance White to off-white solid
    Meltingpoint 99-103 °C
    Purity ≥98%
    Solubility Soluble in DMSO, slightly soluble in methanol
    Storagetemperature 2-8°C
    Smiles CCOC(=O)C1=NC(C)=C(S1)C2=CC(=C(C=C2)OC(C)C)C#N
    Inchi InChI=1S/C17H18N2O3S/c1-4-22-15-9-12(10-18)7-11(8-15)14-13(2)21-17(23-14)16(20)19-6-5-3/h7-9H,4-6H2,1-3H3
    Boilingpoint No data available
    Density No data available

    As an accredited Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Packaged in a sealed 50g amber glass bottle with tamper-evident cap, labeled with chemical name, formula, batch, and hazard symbols.
    Shipping **Shipping Description:** Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate is shipped in tightly sealed containers, protected from light and moisture. It is transported in compliance with all relevant chemical safety regulations, with proper labeling and documentation. Ensure temperature control according to manufacturer recommendations and avoid exposure to incompatible substances during transit.
    Storage **Storage:** Store Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate in a tightly sealed container, protected from light, moisture, and air. Keep in a cool, dry place, ideally at 2–8°C (refrigerator). Avoid exposure to incompatible substances such as strong acids or oxidizers. Ensure proper labeling and restrict access to trained personnel. Handle under a fume hood to prevent inhalation.
    Application of Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate

    Applications of Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate in Industrial Manufacturing

    As a manufacturer specializing in high-purity Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate, we supply this advanced intermediate to select industrial sectors with significant technical complexity. Its integration into downstream matrices supports core capabilities in high-value chemical synthesis, particularly in regulated environments such as active pharmaceutical ingredient production, specialty agricultural chemistry, and select pigment development. Below, we outline specific application domains substantiated by real regulatory, formulation, and finished product requirements.

    1. Active Pharmaceutical Ingredient (API) Synthesis—Thiazole Core Expansion

    Pharmaceutical manufacturers include this compound as a building block for synthesizing proprietary thiazole-based drug molecules, especially where selectivity in heterocyclic assembly determines critical pharmacological action. During multi-step API production, its thiazolecarboxylate group enables precise functionalization, minimizing side reactions in the presence of sensitive active functional groups. The raw material enters after initial amide coupling steps, supporting yield predictability and downstream purification protocols for intermediates used, for example, in anti-inflammatory and CNS drug classes.

    Industry compliance standards

    • ICH Q7 API GMP guidelines
    • 21 CFR Part 210/211 (FDA Drug GMP)
    • Ph. Eur. and USP monographs for registered pharmaceutical intermediates
    • ISO 9001:2015 for chemical quality management systems

    Typical usage ratio

    • 0.8–1.5 molar equivalents, adjusted according to targeted API intermediate yield; modifications based on reaction type and desired selectivity

    Downstream process integration

    • Introduced post-initial protection and activation stages; incorporated under inert nitrogen atmosphere in stirred-tank reactors prior to specific thiazole-ring closure steps

    Final product types

    • Active pharmaceutical ingredients containing thiazole motifs (e.g., CNS medications, anti-inflammatory compounds)
    • API intermediates registered for regulated drug applications

    2. Agrochemical Intermediate for Selective Herbicide Synthesis

    Key agrochemical manufacturers employ this ester as a critical intermediate while composing modern selective herbicides. Its molecular configuration supports the construction of isoxazole and thiazole subunits, central to the activity of contemporary herbicidal products. Addition occurs during controlled condensation steps with chlorinated precursors, enabling regioselective synthesis at moderate reaction temperatures. Seed treatment and foliar spray product platforms often specify intermediates based on this structure for their environmental and biological compatibility.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius – Pesticide Specifications
    • OECD guidelines for chemical safety evaluation
    • ISO 9001:2015
    • REACH Annex II (SDS requirements) for agrochemical intermediates

    Typical usage ratio

    • 1.0–2.3% by mass in herbicide intermediate batch reactions, depending on crop integration protocol and resulting active content requirements

    Downstream process integration

    • Charged into jacketed glass-lined reactors during mid-stage condensation; processed under temperature- and pH-controlled conditions to direct product selectivity prior to subsequent halogenation or ester hydrolysis

    Final product types

    • Thiazole-based herbicide actives for row crop protection
    • Precursor intermediates for broadleaf and monocot-selective herbicidal formulations

    3. Specialty Dye and Pigment Manufacture—Azo and Thiazole Derivatives

    In the specialty pigment segment, this compound acts as a core intermediate for synthesizing advanced thiazole and azo pigments, serving high-performance ink and coating formulations. The isobutoxy and cyano phenyl groups enhance chroma stability and solvent resistance in the final colorant structure. Integrated into the diazotization and coupling phase, it supports pigment chemists in achieving durable coloration for plastic and textile substrates, where standard intermediates may not meet application criteria for light and chemical fastness.

    Industry compliance standards

    • EN71 Part 3 (Safety of Toy Colorants)
    • ISO 105-X12 (Textile color fastness)
    • REACH—Annex XVII (Restricted Substances for Pigments)
    • Oeko-Tex Standard 100 (Restricted substances for textile applications)

    Typical usage ratio

    • 2–8% by input mass in pigment synthesis batch, variable by targeted pigment hue and substrate compatibility; higher levels yield stronger colorants for plastics

    Downstream process integration

    • Direct addition following reduction of precursor nitroanthraquinone; introduced during coupler-coupling step using acid catalysis under controlled temperature to optimize particle size distribution

    Final product types

    • Disperse and acid dyes for polyester and nylon textiles
    • High-performance organic pigments for plastics, inks, and specialty coatings

    4. Advanced Material Synthesis—Liquid Crystal Monomer Precursor

    Manufacturers of specialty advanced materials incorporate this thiazole derivative as a monomer precursor for synthesizing liquid crystal compounds used in electronics and display technologies. The specific arrangement of its isobutoxy and cyano groups provides rigid rod-like molecular geometry, a requirement for enhancing mesogenic properties in custom LC mixtures. This material enters the monomer formation module by esterification with diol-containing initiators under vacuum, optimizing yield and purity necessary for subsequent LC alignment layer formulation.

    Industry compliance standards

    • RoHS Directive 2011/65/EU (Electronic industry restricted substances)
    • IEC 61249-2-21 for material specification in electronic displays
    • REACH SVHC communication for advanced intermediates
    • ISO 9001:2015 for specialty material batch records

    Typical usage ratio

    • 0.5–3 mol% in precursor blend, calibrated to optimize nematic range and phase transition points for intended LC display performance

    Downstream process integration

    • Combined with diol monomers in closed-loop batch reactors at controlled low pressure and elevated temperature, forming preliminary LC-active intermediates for downstream purification and alignment adjustment

    Final product types

    • Monomer units for liquid crystal display (LCD) alignment layers
    • Functional liquid crystal mixtures for automotive, consumer, and industrial screens

    5. Fine Chemical Synthesis—Research Intermediates for Custom Molecules

    Contract manufacturers and fine chemical suppliers utilize this thiazole ester as a specialty research intermediate, essential for developing novel heterocyclic compounds in academic and pilot-scale settings. The compound enters during targeted acylation or cyclization steps to construct bespoke molecular frameworks required for structure-activity relationship (SAR) studies. Its inclusion allows synthetic chemists to precisely control side-chain modification and aromatic substitution, especially where standard precursors compromise experimental validity.

    Industry compliance standards

    • ISO/IEC 17025 for analytical testing laboratories
    • Globally Harmonized System (GHS) for safety data communication
    • REACH registration for fine chemical substances
    • Institutional laboratory best practices (as per national regulations)

    Typical usage ratio

    • 0.2–2.5 mmol per reaction, determined by research protocol, scale, and target molecular architecture

    Downstream process integration

    • Added post-initial substrate activation in round-bottom flask or parallel synthesis reactors; dropwise or one-pot addition, depending on functional group tolerance and synthetic sequence

    Final product types

    • Custom heterocyclic research compounds
    • Intermediates for SAR, bioactivity, and material science studies
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    Certification & Compliance
    More Introduction

    Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate: Experience from the Manufacturing Floor

    Understanding the Product

    Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate is a name that doesn’t roll off the tongue for anyone outside the industry, but to those of us working directly with this compound, its formula tells an extensive story. We have spent years handling the subtleties of its synthesis, learning every nuance that the process delivers during scale-up, and identifying where its strengths lie within pharmaceutical and agrochemical routes. As a key intermediate, it draws the interest of scientists and production managers who recognize its potential far beyond what a formula sheet reveals.

    Material Characteristics and Insights from Synthesis

    Anyone who has spent time at the reactor knows this material responds best to thoughtful management of temperature and solvents. Its purity can hit upwards of 99% under the right recrystallization steps. The yellowish, crystalline solid tells us when the yield is clean, and we recognize the signal impurities well before they trouble a batch. Several years ago, our team dealt with moisture uptake interfering with downstream stages. By switching from standard drum storage to lined, nitrogen-flushed containers, we reduced hydrolysis risk while saving on batch reworks. These in-plant tweaks often matter more than a spec sheet’s numbers.

    There’s a reason this material shows up in so many specialized projects. Its thiazole ring, for one, provides acceptor and donor sites for further functionalization—something medicinal chemists and formulation scientists appreciate. The isobutoxy side chain doesn’t just change its solubility; it also offers unique advantages for processability in organic phases. We load reactors with it in controlled lots, watching closely for color shifts that might point to decomposition. Each time we optimize a crystallization or filtration step, we share those learnings across our technical team. The experience loops back, informing improvements for every future batch.

    Applications: What Drives Demand in Research and Industry

    Molecules of this complexity belong in synthetic tracks where function, not just form, carries the day. In the pharmaceutical field, teams use it as a building block for active ingredients and advanced intermediates. Several patent filings over the past decade reference its core structure, especially in anti-inflammatory and anti-viral discovery pathways. The thiazole-carboxylate backbone allows for targeted modifications, which is invaluable when speed counts in drug screening cycles.

    Agrochemicals count on this compound not for the glamour of big-volume applications, but for the precision it brings in experimental herbicide development. We’ve seen research customers return, drawn by repeatable purity grades and our willingness to troubleshoot when their reaction doesn’t proceed as planned. Every order we deliver contains, as much as possible, the practical experience from past production runs—feedback from customers not only helps us refine specs but nudges us to look for efficiencies on both sides.

    It makes sense to consider alternatives, but we see distributable differences. Structurally similar intermediates might share the core thiazole motif, but even small deviations in the cyano or isobutoxy substituents shift key physicochemical properties. Products lacking the isobutoxy substitution show noticeably different partition coefficients or crystallization behavior. In several pilot programs, technical staff noted increased sensitivity to pH or poorer recovery after extraction when switching away from the isobutoxy-phenyl variant. These nuances don’t surface in a spreadsheet comparison—they turn up in lost efficiency and increased rework hours on the plant floor.

    Sustainability, Safety, and Process Realities

    Responsible chemical manufacturing means more than delivering a COA or ticking compliance boxes. We face real choices about waste management and solvent recovery daily. In the production of Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate, controlling solvent emissions presented the biggest early challenge. Acetone and dichloromethane both feature in the conventional synthesis, and historical batch setups lost yield to evaporation. By retrofitting our condensation traps and shifting to a semi-continuous feed, we reclaimed not only cost but also improved site environmental metrics. Talking about “green chemistry” from a distance doesn’t deliver the same results as having to explain your compliance improvement plan to a regulator who toured your line last month.

    Staff safety comes from taking potential exposure points seriously. Years ago, we introduced localized extraction at charging stations and posted real-time monitoring sensors for volatile organics. The effect rippled outward—operators reported fewer headaches during heavy campaign months, and absentee days trended down. Finding a balance between throughput and routine maintenance proved to be as important as the flashiest new process software. Our incident data shows that investing in regular process hazard reviews beats cleaning up after the fact.

    We can’t pretend every aspect of producing this compound is frictionless. Batch-to-batch consistency relies on upstream raw material quality, and fluctuations in isobutanol supply forced us to vet new vendors and revalidate protocols. Those supply chain headaches are a constant reminder of the need for resilient local sourcing relationships. Building inventory buffers for this intermediate is smarter than just-in-time models in our niche, especially since custom applications often demand quick lead times. Hard lessons—one supply blip can ripple far beyond a single campaign window, especially if a downstream process ties up pilot plant or kilo lab space for days at a time.

    Comparisons with Related Products: Why Differences Matter

    Our direct handling of similar intermediates illustrated how even minor structural changes shift operating protocols. Early in our manufacturing of related esters, we ran several scale-ups with analogs missing the cyano group. Those batches called for longer purification trains and left us struggling with troublesome side products at the isolation stage. Introduction of the cyano group improved selectivity during cyclization, helped minimize mother liquor losses, and gave a more manageable melting profile. That one functional handle drove down process complexity and lowered our average cycle time per batch.

    On paper, a shift from ethyl ester to methyl or propyl alternatives seems straightforward, but solvent compatibility and downstream reactivity tell a different story at scale. In routine workups, the ethyl ester strikes a sweet spot: it dissolves efficiently in common solvents but avoids the volatility of its methyl cousin. Operators find recovery smoother, with fewer losses to volatilization or decomposition under vacuum. Scale-up teams can run columns or crystallizations with less solvent excess and less need for post-process washing.

    There’s a persistent misconception that most phenyl-thiazole intermediates act as interchangeable widgets. The isobutoxy group, though, profoundly changes how the molecule interacts with both organic and aqueous phases. We’ve seen this firsthand when customers tried to shortcut their synthesis by using a different aryl ether. In one biopharma pilot campaign, swapping out the isobutoxy for a methoxy derivative led to incomplete reactions and batch reworks lasting a week. These stories make it clear—real-world outcomes beat theoretical cost-saving moves.

    Supply, Scalability, and Real-World Constraints

    Late one autumn, a major client needed expedited delivery for this intermediate after a competitor fumbled a key step with a less robust process. Our plant’s batch reactors ran overtime, and our shift supervisors hustled to make up for lost time upstream. The lesson: even with digital scheduling and demand forecasts, raw experience matters. Every time a campaign launches, we reexamine inventory, review production drawings, and adjust loading orders. Facilities that ignore this step wind up chasing bottlenecks instead of ramping up smoothly.

    Scalability isn’t about stretching plant capacity till something breaks; it’s about knowing which steps won’t translate from beaker to ton scale. The thiazolecarboxylate’s reactivity profile taught us that tweaks at lab scale—say, a splash of catalyst here or a shortcut isolation step there—become major pain points when thousands of liters pass through the line. Temperature spikes hit harder, vacuum control matters more, and trace moisture in any raw material suddenly threatens batch yield. After investing in automated monitoring and continuous feedback loops, we built a track record of repeatable output. Output ramps up quickly not by pushing harder, but by recognizing limits and feeding process data into every cycle.

    Laboratory samples sent direct to clients must match larger orders, and that’s only possible by holding the line on analytical verification standards. Our QC team adjusts methods to match minor process shifts, and project managers push for real-world validation of each analytical tweak. Time spent fighting drift early removes customer complaints down the line. The value of experience shows up quietly—in a clean HPLC trace, in the absence of remediation calls, in customer teams who come back year after year expecting the same reliable profile.

    Learning from Production: Shared Benefits and Process Discipline

    Our plant never forgets the core lesson: every reaction is an opportunity to solve problems, make gains, and reduce waste. From the earliest runs, we learned that a certain level of discipline pays off. Operators document every deviation, whether a slight pH blip at workup or a delayed phase separation during extraction. That logbook mentality means future campaigns open with well-founded assumptions—not hopeful guesses. By sharing these records, shifts run smoother, and our newer staff get up to speed faster.

    Even as our process evolved, we kept a running list of minor tricks that never appear in sales literature. Cooling rates, stirrer speed adjustments, and solvent choices tailored to seasonal humidity shifts matter. We once improved filtration speed by a full hour thanks to an operator’s observation about crystal packing under low agitation. These granular improvements translate to batch reliability, operator morale, and—at the end of the year—more satisfied partners across the supply chain.

    Clients from outside chemistry sometimes underestimate the variability inherent in large-scale organics production. Every intermediate like this carries its own fingerprint. Some competitors tout lower prices or faster lead times, but they often cut corners on analytical precision, cross-contamination controls, or lot traceability. Our own audit records highlight how small deviations in protocol accelerate wear and tear or gradually drop specification compliance. Our approach focuses squarely on repeatability and long-term relationships, not just delivering one-off sales.

    Building customer relationships requires more than shipping on time. We spend time walking through process design with R&D teams. Collaboration on route scouting or impurity tracing pays immediate dividends when a new synthesis pathway launches. Technicians handling this intermediate learn early that a two-minute phone call with a customer’s chemist saves hours of firefighting later. When unexpected byproducts show up or extraction yields lag, we troubleshoot with both plant and partner labs until solid solutions stick.

    Commitment to Improvement: Moving Forward Together

    The world of chemical manufacturing shifts continually, and adapting with it calls for fresh thinking and a willingness to revisit old assumptions. Regulations tighten, customers push for sustainable sourcing, and new discoveries reshape what’s possible. Our engagement with academic partners and technical consultants broadens each year. We swap notes on greener reagents, solvent swaps, and process intensification—always seeking out that balance between innovation and real-world reliability.

    Recently, we piloted a re-engineered synthesis route based on feedback from a leading pharmaceutical client. By replacing a legacy solvent with a greener alternative, we reduced overall hazardous waste by nearly a quarter and improved workup time. Changes like these come from hard-won practical knowledge—careful trials, hours spent in the plant, and an ethos that encourages every employee to propose improvements. Tuning a process may not always yield splashy headlines, but better operator safety, higher throughput, and real customer value mean more to us in the long run.

    Our ongoing investment in staff training reflects this mindset. Each new technician receives not only instruction on current SOPs but also context for why steps matter. We host quarterly workshops inviting cross-team discussion of recent process changes and lessons learned. The results show up over time—in steadier operations, fewer stoppages, and well-trained teams equipped to spot trouble before it grows.

    Strong supplier relationships let us avoid costly disruptions. We routinely visit key raw material vendors, review their practices, and seek ways to align quality systems. The stability of this upstream network allows our plant to respond flexibly as customers bring new requirements or rush orders that stretch forecast lead times.

    Working from the manufacturing floor, not just from spreadsheets or presentation decks, shows us what matters day in and day out. The experience informs every improvement—small and large—that we build into Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-5-Thiazolecarboxylate manufacturing. Every lesson from the plant, every customer question, and every incremental improvement adds up to compounds that do their job right the first time. Technical details count, but our deepest insights spring from solving practical challenges for scientists, engineers, and innovators who count on us for the next step in their work.