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3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester

    • Product Name 3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester
    • Alias Ethyl 3-(2-(trifluoromethyl)phenyl)-3-oxopropanoate
    • Einecs 416-640-2
    • 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

    604703

    Product Name 3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester
    Cas Number 288385-26-2
    Molecular Formula C12H11F3O3
    Molecular Weight 260.21
    Appearance Colorless to pale yellow liquid
    Purity Typically >98%
    Solubility Soluble in organic solvents such as dichloromethane, ethyl acetate
    Smiles CCOC(=O)CC(=O)C1=CC=CC=C1C(F)(F)F
    Inchi InChI=1S/C12H11F3O3/c1-2-18-12(17)7-10(16)8-5-3-4-6-9(8)11(13,14)15/h3-6H,2,7H2,1H3
    Storage Temperature Store at 2-8°C

    As an accredited 3-Oxo-3-(2-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 Packaged in a 25g amber glass bottle with a tamper-evident cap, labeled with chemical name, CAS number, and hazard information.
    Shipping This chemical is shipped in secure, airtight containers, following standard regulations for hazardous materials. It is packaged to prevent leaks, exposure to moisture, and direct sunlight. All shipments include safety labeling and documentation as required for organic esters and trifluoromethyl-containing compounds. Handle and store in a cool, well-ventilated area upon delivery.
    Storage Store **3-Oxo-3-(2-Trifluoromethylphenyl)propionic acid ethyl ester** in a tightly sealed container, protected from moisture and light, in a cool, dry, and well-ventilated area. Keep away from incompatible materials such as strong oxidizers and acids. Recommended storage temperature is 2–8°C (refrigerated). Ensure access is limited to trained personnel and follow standard chemical safety protocols.
    Application of 3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester

    Applications of 3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester in Industrial Manufacturing

    3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester serves as a specialized intermediate across select sectors where controlled molecular structure, fluorinated groups, and precise reactivity are essential. As a manufacturer, we support downstream producers by ensuring consistent supply, documented process data, and application-focused quality assurance for compliance-driven formulation development.

    1. Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) Synthesis

    The trifluoromethyl-substituted propionic acid ester is a critical building block in the custom synthesis of advanced NSAID molecular frameworks. Downstream pharmaceutical manufacturers conduct Friedel-Crafts acylation or Claisen condensation using this ester to assemble active pharmaceutical ingredient (API) scaffolds, especially when enhancing fluorination profiles for improved potency or metabolic stability. Batch validation and full traceability from our facility assist formulation chemists in achieving narrow impurity profiles demanded by regulatory filings.

    Industry compliance standards

    • Current Good Manufacturing Practice (cGMP, ICH Q7)
    • United States Pharmacopeia (USP)
    • European Pharmacopoeia (Ph. Eur.)
    • Japanese Pharmacopoeia (JP)

    Typical usage ratio

    • Employed at 0.8–1.1 molar equivalents per API batch; fine-tuned according to target yield and impurity limit specifications

    Downstream process integration

    • Introduced at the API intermediate stage; used in combination with aromatic amines or other substituted ketones during core structure formation

    Final product types

    • Trifluoromethylated NSAIDs (e.g., derivatives of ketoprofen, flurbiprofen)
    • Selective COX-2 inhibitors with enhanced metabolic stability
    • Clinical trial API samples for regulatory submission
    • Registered API lots for finished pharmaceutical formulations

    2. Agrochemical Active Ingredient Production

    Major agrochemical R&D divisions exploit the electrophilic characteristics of this ester during heterocyclic ring closure and trifluoromethyl group introduction to design next-generation fungicides and herbicides. Our technical support team provides documentation for ISO 9001-driven audits, and we actively control trace impurities, crucial for safe downstream field application. The raw material’s predictable performance in multi-step synthesis delivers reliable batch reproducibility for final active ingredient evaluation.

    Industry compliance standards

    • ISO 9001 Quality Management Systems
    • FAO/WHO Specifications (JMPR Guidelines)
    • REACH registration (European Union substances)
    • U.S. EPA Pesticide Registration Standards (40 CFR Part 158)

    Typical usage ratio

    • Integrated at 5–15% by mass of precursor intermediates depending on active group density targets and toxicological clearance endpoints

    Downstream process integration

    • Added during early-stage synthesized pathways prior to cyclization, often preceding final halogenation steps to control substitution pattern

    Final product types

    • Trifluoromethylated herbicide actives (e.g., protoporphyrinogen oxidase inhibitors)
    • Fungicide intermediates for field crop protection
    • Pilot-scale samples for environmental toxicity testing
    • Commercial plant extractable technical product (TEP) batches

    3. Specialty Liquid Crystal Intermediate Manufacturing

    This chemical acts as a tailored precursor for the assembly of fluorinated aromatic cores in specialist liquid crystal monomers. Applicable primarily within advanced display technology production, it is instrumental in delivering specific refractive index and phase transition properties required by display material suppliers. Our plant ensures consistent isomeric purity and low residual solvent levels, meeting stringent criteria from global OEMs in the electronics sector.

    Industry compliance standards

    • IEC 61249-2-51 Environmental Requirements (electronics chemicals)
    • RoHS 3 (2015/863/EU)
    • Clean Room Manufacturing Standards (ISO 14644)
    • Supplier Material Approval (major Japanese and Korean display OEMs)

    Typical usage ratio

    • Incorporated at 12–18% by weight within aromatic core build-outs; precisely controlled to affect liquid crystalline properties

    Downstream process integration

    • Entry point in monomer precursor synthesis, followed by fluorine rearrangement reactions and ester hydrolysis for end-stage liquid crystal formulation

    Final product types

    • Fluorinated liquid crystal monomers
    • Advanced nematic and smectic liquid crystal mixtures
    • LCD and OLED high-resolution display substrates
    • Analytical standards for electronic grade material validation

    4. Performance Polymer Intermediate Formulation

    Chemical engineers in specialty polymer R&D select this trifluoromethylphenyl ester for use in custom polyimide and polyamide backbones. Its structural configuration supports polymer chains requiring enhanced solvent resistance and thermal performance, as demanded by the aerospace and automotive industries. We work with downstream process teams to adjust purity and packaging standards, accommodating automated dosing and real-time process analytics.

    Industry compliance standards

    • ISO 9001/14001 Integrated Management Systems
    • SAE International Material Specifications (SAE AMS)
    • UL 94 Flammability Standards
    • REACH Annex XIV and SVHC Notifications (relevant to monomer use in EU)

    Typical usage ratio

    • Blended at 3–7 wt% as a comonomer in reaction feeds, optimized per target glass transition temperatures and molecular weight profiles

    Downstream process integration

    • Feeds into polycondensation or ring-opening polymerization reactors at the early precursor stage to achieve uniform co-monomer distribution

    Final product types

    • Fluorinated polyimide films for flexible electronics
    • High-performance polyamides for chemical-resistant coatings
    • Precision molded thermoplastics for aerospace interiors
    • Grade-specific polymer masterbatches
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    Certification & Compliance
    More Introduction

    Introducing 3-Oxo-3-(2-Trifluoromethylphenyl)Propionic Acid Ethyl Ester: Behind Its Chemistry, Purpose, and Advantages

    A Practical Perspective on a Valuable Intermediate

    After decades in chemical manufacturing, we have handled a wide spectrum of specialty compounds and understand that the stories behind each molecule matter as much as their purity grades. 3-Oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester stands out both for its demand in complex synthesis and for the unique contributions it brings to the pharmaceutical and fine chemical sectors. We recognize the challenges chemists face when sourcing quality intermediates, so we focus on ensuring this product meets the expectations born from real-world laboratory work.

    Core Specifications Shaped by Experience

    Chemists value predictability in their intermediates, and we prioritize batch consistency with every lot of this ester we ship. Over the years, customer feedback has taught us that consistency in melting point, purity, and minimal residual solvents makes a difference in downstream reactions. We highlight our standard: each batch undergoes rigorous HPLC and GC analyses to verify purity commonly above 98%. Our internal process does not compromise on water content or residual starting materials, proven by countless process validations we've supported for clients scaling from small labs to pilot plants.

    Our approach doesn’t just meet technical sheets – it reflects troubleshooting countless syntheses where batches with unknown by-products stall a project or fail critical registrations. By retaining control over raw materials and reaction parameters, we minimize process impurities. Handling of the trifluoromethyl-substituted aromatic group demands precision, as any uncontrolled temperature shift or reactant impurity can introduce subtle side products that escape broad-strokes analysis but show up later to complicate API syntheses.

    Functionality That Supports Complex Synthesis

    This ester appears as a white to slightly off-white crystalline solid, and its stable handling properties allow for reliable room temperature storage and weighing, crucial in multi-step pharmaceutical routes. Its primary appeal lies in its role as a key intermediate, especially for molecules requiring the unique electron-withdrawing effects of the trifluoromethylphenyl group. Researchers come to us asking for a compound capable of participating reliably in aldol-type reactions, Michael additions, or as an acyl donor in catalytic or enzyme-mediated transformations. The ethyl ester form introduces a flexible leaving group that enables selective transformations compared to bulkier or less reactive alternatives.

    In our experience, the fine control of the ester group has allowed customers to unlock new synthetic pathways not accessible with bulkier or less labile esters. The trifluoromethyl substituent draws particular interest from pharmaceutical innovators seeking to increase metabolic stability or modulate bioavailability in final actives. We’ve seen development teams make significant leaps in scaffold diversity by integrating this intermediate, then manipulating the propionic acid ethyl ester moiety to anchor custom functional groups downstream.

    Distinct Parameters Compared to Similar Products

    Lab teams sometimes ask how this compound compares to unhalogenated or mono-halogenated phenylpropionic esters. From our vantage point, the trifluoromethyl group doesn’t behave like simple halogens or hydrogen. With a strong electron-withdrawing impact, it affects both the reactivity and pharmacological profile of the target molecule. This group alters the acidity of the methylene, impacts nucleophilic addition selectivity, and often enhances physical properties like solubility or lipophilicity—a benefit many medicinal chemists leverage.

    Working hands-on with various esters, we noticed this compound’s reactivity in condensation reactions proceeds more predictively than with bromine or chlorine analogs, with fewer side reactions and easier work-ups. The ethyl ester portion contributes to a cleaner hydrolysis profile versus methyl esters, which sometimes generate emulsions or stickiness during saponification in larger vessels. Operators in our plant remark on the smoother filtering and isolation steps with this product, avoiding the troublesome clumping they’ve encountered with some analogs.

    From a production perspective, the lower volatility of the ethyl ester compared to methyl analogs has enabled safer, more controlled scale-ups, minimizing flammability concerns and easing environmental controls. Batch crystallizations consistently yield pure product without troublesome oily residues, saving time in quality verification.

    Supporting Development in Pharmaceuticals and Fine Chemicals

    Pharmaceutical researchers and scale-up engineers see this product as much more than a catalog chemical. Given the synthetic trends of the past decade, the trifluoromethylphenyl fragment is in growing demand because it allows researchers to fine-tune absorption, distribution, metabolism, and excretion (ADME) properties of potential new medicines. Our molecule delivers this workaround to metabolic liability, giving medicinal chemists a stronger hand in lead optimization.

    Chemical manufacturers serving research and process chemistry depend on intermediates that do not introduce hidden risks downstream. Our investment in process reproducibility and in-line monitoring has allowed customers to shave months off registration times, refusing compromises caused by erratic or impure lots. We have worked alongside teams optimizing both kilogram and multi-ton production campaigns, ensuring that each batch behaves with the reliability needed for both small molecule syntheses and more ambitious, late-stage process development.

    Addressing Industry Challenges: Traceability and Sustainability

    Customers raise justified concerns about the origins of specialty aromatic starting materials, especially with increasing focus in regulatory circles on raw material traceability. Sourcing and qualifying the benzoic acid derivative used in this product required significant investment in supplier audits and establishing long-term supply contracts, which pays dividends for our own and our partners’ quality systems.

    We have encountered unexpected variances in purity or trace metals in batches sourced from poorly vetted suppliers, and saw the fallout firsthand with unexpected biological test failures. To counter these risks, our purchasing, laboratory, and production teams cooperate closely from order fulfillment through final QA, tracking materials so end-users never face unexplainable supply chain interruptions.

    On the sustainability front, fluorinated building blocks often attract questions about environmental persistence. Building our process with minimal waste and responsible solvent recovery has become standard, and our in-house engineering team is experimenting with recyclable catalytic systems that could further minimize our imprint. True sustainability for this product means conducting thorough cradle-to-gate lifecycle assessments and openly communicating with partners about minimized emissions or improved atom economies.

    Customer Support and Technical Collaboration

    By maintaining direct contact with downstream process engineers and synthetic chemists, we’ve gathered detailed feedback on how our product performs in real reactions. Difficulty dissolving or suspicious reactivity trends have often traced back to unseen minor impurities. Acting on this feedback, we instituted more frequent analytical checks, including expanded NMR and LC-MS screens. This helped some of our major partners in Europe and Asia streamline their analytical testing and confidently validate our lots for regulatory filings.

    We offer technical support that goes past surface-level troubleshooting. Process chemists or scale-up managers can get direct answers from the supervisors who run our reactors, not from salespeople reading off scripts. This reduces friction and hastens root-cause analysis if a particular lot presents a challenge, keeping time-to-market forecasts on target and budgets within reach.

    Adapting to Evolving Regulatory and Research Demands

    We witness regulatory and process trends from the front lines, not from third-hand reports. The increased scrutiny on trace contaminants and the demand for full certificates of analysis, including expanded impurity profiling and elemental analysis, comes not as a surprise but as part of our daily operations. By proactively adopting quality-by-design documentation, we save our partners time that would otherwise be lost in back-and-forths during tech transfers or new registration filings.

    We acknowledge that the worldwide regulatory landscape never stands still. Our product pipeline has flourished by keeping pace with subtle shifts in European and US guidance on fluorinated intermediates, including closer inspection on potential PBT (persistent, bioaccumulative, and toxic) substances. Running preemptive in-process controls shields our downstream partners from unanticipated regulatory headaches. If new test parameters gain prominence, we have the airspace and lab expertise to implement those checks before they hit public databases.

    A Partnership Based on Practical Reliability

    Decades of chemical manufacturing teach one point above all: chemists, production engineers, and scientists value supply partners who solve daily technical problems honestly and thoroughly. The reputation of 3-oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester as an intermediate rests on detailed process adjustment, documentable consistency, and a collaborative support ethos. By investing more in quality, traceability, and technical transparency, we help customers create products that perform reliably, whether the goal is a new small-molecule drug, a polymer innovation, or a step-change in agrochemical synthesis.

    Looking Beyond the Standard: Future-Proofing Our Approach

    The chemistry world keeps evolving, with shorter research cycles, greater demands on reproducibility, and stronger calls to integrate responsible manufacturing practices. As demand grows for fluorinated intermediates with specific functionalities, we focus on maintaining both the art and science of specialty chemical synthesis. With each feedback note from bench chemists or production teams, we find new ways to refine our workflows, upgrade analytical controls, and improve batch performance.

    3-oxo-3-(2-trifluoromethylphenyl)propionic acid ethyl ester shows the power of working from a manufacturer’s perspective: every step, from raw material vetting to finished lot testing, reflects hands-on experience and a direct line to practical needs in modern chemical research and manufacturing. By innovating and staying accountable for every kilo we supply, we help push the field beyond catalog chemistry into true partnership and progress.