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3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester

    • Product Name 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester
    • Alias ethyl 3-(3-(trifluoromethyl)phenyl)-3-oxopropanoate
    • Einecs 629-864-0
    • 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

    321747

    Product Name 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester
    Cas Number 881674-56-2
    Molecular Formula C12H11F3O3
    Molecular Weight 260.21
    Appearance Colorless to pale yellow liquid
    Boiling Point 126-128°C at 10 mmHg
    Density 1.26 g/cm³ (approximate)
    Purity Typically ≥98%
    Smiles CCOC(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)F
    Storage Conditions Store at 2-8°C, in a tightly sealed container
    Solubility Soluble in organic solvents such as dichloromethane and ethanol

    As an accredited 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl 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, 25g, tightly sealed with screw cap, labeled with chemical name, molecular formula, hazard symbols, and handling instructions.
    Shipping The chemical `3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester` is shipped in secure, airtight containers to prevent leakage or contamination. Packages comply with international transport regulations for chemicals and are clearly labeled. Temperature and handling requirements are maintained according to safety data specifications during transit to ensure product integrity and safety.
    Storage Store 3-Oxo-3-(3-Trifluoromethylphenyl)propionic acid ethyl ester in a cool, dry, and well-ventilated area away from direct sunlight and sources of ignition. Keep the container tightly closed and protected from moisture. Store separately from strong acids, bases, and oxidizing agents. Use appropriate chemical storage containers, and ensure all storage is consistent with local regulations and safety guidelines.
    Application of 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester

    Applications of 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester in Industrial Manufacturing

    As the original producer of 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester, we supply this advanced intermediate to leading sectors that require stringent quality and process consistency. Below, we detail the primary downstream industrial applications, highlighting regulatory requirements, recommended dosing, integration into each process, and representative end products manufactured in each field.

    1. Pharmaceutical Active Ingredient Synthesis

    Pharmaceutical manufacturers select this material as a highly specific building block in the synthesis of selective COX-2 inhibitors and several other trifluoromethylated therapeutic candidates. It enters the process at the advanced intermediate stage, contributing a trifluoromethyl aryl component for final diketone condensation and cyclization reactions. Downstream partners fine-tune input ratios based on targeted molecular yields, with batch records closely monitored in cGMP environments to address regulatory requirements for traceability and consistency across international markets.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • US FDA cGMP (21 CFR Parts 210 & 211)
    • EU EudraLex Volume 4
    • Japanese Pharmacopoeia (when applicable to final drug substance)

    Typical usage ratio

    • 0.18–0.28 molar equivalents per target API batch size, adjusted for stoichiometry, impurity profile, and reaction efficiency

    Downstream process integration

    • Serves as an aromatic precursor introduced after base structure formation, prior to final coupling, under strictly controlled temperature and atmospheric conditions

    Final product types

    • COX-2 selective inhibitor APIs (e.g., intermediate for etoricoxib analogues)
    • Other fluorinated pharmaceutical substances explored in pain management and anti-inflammatory development

    2. Agrochemical Selective Herbicide Intermediate

    Industrial agrochemical companies rely on this compound during the multi-step synthesis of emerging herbicide active ingredients, particularly those that utilize phenyltrifluoromethyl moieties for improved selectivity and environmental degradation profiles. It is predominantly added after initial chlorination steps for direct coupling and subsequent ring closure, where reaction kinetics and by-product control are critical to downstream plant safety and environmental impact compliance.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • ISO 9001:2015 Quality Management System for Agrochemical Industry
    • REACH Regulation (EC) No 1907/2006 for chemical safety in the EU
    • US EPA 40 CFR Part 174 (regulation of pesticidal substances)

    Typical usage ratio

    • 4.5–7.5% w/w based on desired active moiety yield and by-product minimization targets

    Downstream process integration

    • Introduced as an intermediate after substrate activation and base-catalyzed enolate formation; regulation demands detailed tracking from input to purified technical material

    Final product types

    • Pre-emergence and post-emergence herbicide technical actives
    • Customized herbicide formulations for resistant crop strains
    • Experimental developmental herbicides for market trials

    3. Fine Chemical Synthesis for Specialty Polymers

    Select specialty polymer manufacturers incorporate this ester during the functionalization of aromatic monomers aimed at producing fluorinated polymers with enhanced solubility or high thermal stability. It forms part of key side-chain modifications prior to final polymerization, where precise control over feedstock ratios influences physical material properties and downstream quality assurance standards, especially for electronics and specialty coatings applications.

    Industry compliance standards

    • ISO 9001:2015 for process quality
    • EN 60216 (thermal endurance of insulating materials)
    • RoHS Directive 2011/65/EU for electronics-related polymer production
    • REACH compliance for monomers and intermediates

    Typical usage ratio

    • 3–6 phr (parts per hundred resin) depending on targeted degree of fluorination and mechanical specification requirements

    Downstream process integration

    • Enters as a co-monomer or chain modifier at pre-polymerization or amidation phase, typically via batch or continuous-flow reactors with in-line feed monitoring

    Final product types

    • High-performance fluorinated polyesters for flexible electronics
    • Solvent-resistant polymer coatings for aerospace applications
    • Specialty films for semiconductor insulation

    4. Advanced Fragrance Ingredient Intermediate

    Fragrance compounders and aroma chemical developers utilize this ester in the controlled synthesis of specialty ketone-based notes that provide unique high-impact odor characteristics, as well as improved volatilization profiles in premium perfume formulations. Its entry point within the process normally follows initial esterification and before final hydrogenation or derivatization, with attention to traceability, ingredient purity, and IFRA compliance in all quality documentation.

    Industry compliance standards

    • IFRA Code of Practice (International Fragrance Association)
    • ISO 9235:2013 (Aromatic natural raw materials and isolates)
    • US FDA 21 CFR 182 (Generally Recognized As Safe fragrance intermediates)
    • REACH registration for fragrance raw materials supplied in the EU

    Typical usage ratio

    • 0.8–1.8% w/w of total base aroma compound batch, dependent on formulation target note and regulatory limits on component volatility

    Downstream process integration

    • Entered post initial condensation as a reactant for secondary cyclization or specific ketone construction, under inert atmosphere to maintain aromatic integrity

    Final product types

    • Specialty aroma chemicals for luxury perfume houses
    • High-impact fragrance intermediates for fine and personal care scents
    • Custom ketone-based aromas in home fragrance blends
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    Certification & Compliance
    More Introduction

    3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester: Direct from the Manufacturer’s Floor

    An Insider’s Perspective on Production and Application

    Experience in chemical synthesis passes through every step in the plant. Several decades ago, most esters carrying trifluoromethyl functionality remained niche—requiring custom development, one lab bench at a time. As demand climbed among pharmaceutical labs and fine chemical producers, straightforward and scalable methods turned into necessities. Shifting the task from a few grams to metric-ton runs uncovered not only process improvements but also the kind of selectivity and consistency that advanced research calls for.

    We started distilling the backbone of 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester when the pharmaceutical sector’s quest for structurally elaborate compounds began drawing more intriguing building blocks to the fore. Researchers substitute, rearrange, and extend phenyl rings every day; trifluoromethyl groups, in particular, grant new chemistry with their strong electron-withdrawing properties and influence over pharmacokinetics. The ethyl ester moiety presents distinct advantages in downstream transformations, especially for teams focused on C–C bond formation or selective hydrolysis. Laboratories and process chemists order this compound for work anchored in med-chem scaffolding, as well as more specialized uses such as agrochemical intermediate formation.

    The Manufacturing Journey: From Raw Materials to Consistency

    Our line workers know the significance of controlling temperatures and solvent ratios at each stage. This product’s route begins with high-purity starting materials—no margin for error, since even trace impurities threaten downstream reactions. As batches move through reaction vessels, real-time monitoring picks up even slight exothermic shifts. Visual signs matter as much as the printed numbers: clarity in the reaction mixture, the right shade as the mixture stirs, and the expected smells (or lack thereof) after quenching. Our technical staff trains operators so that experience sits side by side with modern sensors.

    Solvent selection shapes yield and color. Process chemists evaluate side-product profiles with every cycle, iterating formulations to squeeze out unwanted isomers or colored byproducts. Post-synthesis, our distillation and extraction teams remove tars and residual bases, trapping the desired ester fraction in a clean cut. Granularity in batch records enables troubleshooting process drift—something that smaller or inadequately equipped players struggle with.

    Packing and logistics complete the cycle. After final purity is confirmed by HPLC and GC, we bottle the ethyl ester in containers that prevent both moisture ingress and photodegradation. Our shipping crew double-checks loads before dispatch, since vibration or temperature fluctuations during transit sometimes affect less stable products. This close attention isn’t optional; a single leaky seal could force dozens of kilograms off specification.

    Specifications and Real-World Performance

    Users ask about the small differences batch to batch. In our experience, minor shifts in melting points or spectral signatures reflect underlying variances in precursor quality or small changes in synthesis duration. We have seen cases where just a 0.5% change in solvent proportions drives precipitation later or impacts easy crystallization at the user’s site. This awareness only grows by watching batches progress over years, talking to researchers directly when an unexpected HPLC peak appears in their results, or receiving feedback from labs scaling up for semipreparative work.

    Most buyers focus on GC purity above 98% and minimal water content. We maintain trace-level quantitation for typical residual solvents and organic acids. For those optimizing for speed, we can boost throughput using alternate distillation regimes. The result: reliable access to consistently high-purity material, with tight control on minor but sometimes critical variables like UV cutoff range or particulate load.

    Our operators often field requests for milligram samples and then bulk scale-ups. They log all process customizations in batch sheets, since capturing small one-off successes enables repeat orders to stay reproducible. Sophisticated users will ask for specific NMR trace documentation or a certain type of thermal analysis. Meeting these requests means investing in new instrumentation yearly and calibrating with verified standards, not just internal markers. We work closely with each QC technician to compare results over time, reducing analyst-to-analyst drift.

    What Sets This Ethyl Ester Apart

    Differences between this ethyl ester and similar chemical products arise from the trifluoromethyl group’s chemical behavior. Compared to phenylpropionic esters without CF3 substitution, this variant brings striking resistance to enzymatic breakdown—key for researchers designing molecules that last longer in vivo or during environmental exposure. The 3-position on the phenyl ring interprets substitutions differently from the 2- or 4-positions. Our in-house records chronicle customer studies showing this compound delivers altered reactivity during condensation or alkylation when compared with downstream analogues, such as those carrying only benzene or difluorinated motifs.

    Some competitors produce methyl or isopropyl analogs, which hydrolyze faster or present different solubility constraints. We focus on the ethyl version because process chemists prefer its blend of manageable volatility, reliable reactivity, and suitability for O-alkyl cleavage. Over years of feedback, we've noted the methyl form evaporates too readily during solvent removal steps, while the isopropyl ester slows down hydrolysis for applications needing faster cleavage. Our plant operators and client labs document the significant differences in work-up and product isolation between these options.

    Batch-to-batch performance shapes customer loyalty. Direct purchasers highlight that our product allows for shorter reaction times, fewer impurities, and more predictable yield curves than similar esters from lesser-vetted sources. One global customer’s process chemist wrote us last year, detailing how our ethyl ester dropped unwanted byproduct formation by 30%—due specifically to reduced peroxide-forming residue carried into their subsequent ring closure step. That’s something we attribute to both choice of starting acid and diligent mid-process purification.

    User Feedback and Application Trends

    Large pharma clients and academic labs find this product valuable when assembling novel analogues for small molecule drug discovery. The steric and electronic influence of the trifluoromethyl substituent differentiates activity profiles in lead optimization campaigns. Over time, we tracked orders rising from CROs and process development teams chasing improved metabolic stability or novel pharmacophores. Some users apply the material as a coupling partner for new heterocycle exploration, leveraging the activated methylene adjacent to the carbonyl.

    One team working on anti-inflammatory lead compounds reported improved process yields when substituting this ester for the parent acid. The volatility of the ethyl group simplified their work-up, especially during solvent partitioning steps. In agrochemical synthesis, downstream transformation of this ester enabled more robust synthesis streams, with reduced overall step count and improved environmental profile by eliminating certain halogenated solvents.

    Customer stories sharpen both our R&D pipeline and production protocols. Academic collaborators often prefer a specific optical purity or request variant packaging for glovebox transfer. We keep an open door policy to technical questions, learning from both commercial and bench-scale users about unintended side reactions or work-up complications. As a manufacturer, there isn’t a week where we don’t receive requests for technical support on derivative formation or purging of trace non-volatile residues. By sharing analytical results, including full NMR and MS spectra, we foster trust with demanding research groups and encourage adaptation of our product for new experimental trails.

    Choosing the Right Building Block for New Synthesis

    Selecting the right starting material means gauging potential roadblocks in scale-up or regulatory scrutiny. This ethyl ester variant earns selection from medicinal chemistry teams for both its manageability and clean transformation options. In direct coupling or amidation, the presence of the trifluoromethyl group tilts reactivity and can suppress unwanted side mechanisms like overalkylation or excessive hydrolysis. Those subtle differences matter for chemists charting paths to more stable analogs.

    Compared to the acid form, the ethyl ester travels and stores easier, keeps well over moderate timeframes—even through changing seasons and shipping conditions. Several of our clients operate multi-location sites, shipping both intermediate and final products across continents. The stability profile of the ester sidesteps concerns of premature hydrolysis that plague less robust analogs. The end result: fewer manufacturing delays from off-spec arrival, less product wastage, and less need for last-minute troubleshooting.

    For early-stage discovery, customers appreciate a starting ester devoid of masking odors or stubborn tints, as these can complicate downstream purification. Synthetic chemists depend on batch consistency as much as improvements in cost or speed. We field numerous customer inquiries about the “feel” of a product—its flow characteristics and behavior during filtration—as those physical features sometimes spell the difference between a project’s success or a month of repeated failures. In this space, our direct production oversight means we can replicate desirable handling traits across multi-year campaigns.

    Technical Guidance and Process Troubleshooting

    Access to knowledgeable support gives buyers confidence. We invest in supporting documents detailing impurity profiles, recommended storage, and observed variance. Over the years, our teams assembled a library of technical case studies. A recent example involved a client struggling with shift in retention time during HPLC runs—traced back to a minute contaminant introduced by an aging gasket on their purification column. Such case details circulate through our training program, equipping new hires with practical know-how.

    Our chemists update guides after seeing new reaction trends emerge among leading-edge users—be it a pivot toward continuous processing or uptake of greener solvents. We routinely adjust our drying and packaging steps for customers running under exclusion of water or who require low-end temperature work. That degree of hands-on involvement isn’t standard across the industry. We take pride in identifying new process risks and fine-tuning run parameters accordingly.

    The manufacturing team maintains open dialogue with both procurement officers and end users, so process changes or raw material batch switches never catch our customers off guard. Any deviation—whether in trace element load, appearance, or sensory cues—marks an immediate review, with records circulated to all internal stakeholders for transparency. That level of coordination grew from firsthand experience—not from audit-driven mandates.

    Environmental Considerations and Future Directions

    Heavy reliance on halogenated aromatic intermediates demands environmental stewardship. At the start, few producers gave much thought to residual emissions or solvent recycling from routine ester preparation. Waste minimization now rivals product quality as a metric of manufacturing health. We developed recycling procedures for major solvent streams and monitor fluorine emissions at each distillation tower. Solvent recovery rates count as manufacturing victories, not just regulatory checkboxes.

    Several of our process engineers focus on minimizing energy use during reflux and cooling steps. Newer generations of reactors use smarter insulation and precise PID control, delivering not only repeatable yield but shrinking our carbon output per ton of product. As regulations expand, we plan for stricter discharge controls and increased transparency for stakeholders mapping chemical supply chains from initial synthesis to product loading.

    Customers ask for documentation of environmental practices more frequently than five years ago. We respond transparently, sharing real numbers—not just boilerplate statements—on water, solvent, and power use per batch over rolling twelve-month windows. In our conversations with multi-national clients, the question often turns to scope 3 emissions. As a direct producer answering these queries at the plant level, our operators can speak to specific investments or historical data; those stories matter far more than canned sustainability slogans.

    Reproducibility, Traceability, and Staying Ahead

    Traceability sits at the core of consistent product performance and regulatory compliance. We document raw material sources, blending ratios, and processing conditions for each lot, archiving lot-specific signatures and sample reserves for possible later investigation. Working relationships with high-quality suppliers keep input quality above the baseline. We find that recorded visual cues—clarity, color, settling time—sometimes explain downstream outcomes better than analytical prints alone.

    Sample retention practices proved crucial for a batch flagged in Europe last year, where an end user detected unusual yellowing during crystallization. By re-running the original lot’s reserve sample through our own analysis, we identified a rare congener not seen before in production. Actionable intelligence from in-house records let us issue field guidance and adjust six months’ worth of reaction protocols—tightening control over a corner of the process that rarely drew attention before.

    Our plant invests every year in cross-training, reviewing not only basic handling but also nuances of scale-up and rare event troubleshooting. Many of our team members possess decades-long expertise; the cumulative knowledge embedded in our operation insulates customers from bumps other suppliers sometimes experience as turnover or outsourcing cut institutional memory short.

    Shared process discipline, transparency, and customer dialogue keeps us accountable. The industry continues to evolve. New downstream applications and challenges will keep appearing. Our task remains straightforward: anchor production on expertise, continuous improvement, and honest communication about what our 3-Oxo-3-(3-Trifluoromethylphenyl)Propionic Acid Ethyl Ester does best, and how we will keep it that way, batch after batch.