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Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate

    • Product Name Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate
    • Alias Methylcyclopropyl trifluorobutyrate
    • Einecs 424-960-2
    • 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

    750427

    Product Name Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate
    Cas Number 104636-58-2
    Molecular Formula C7H11F3O3
    Molecular Weight 200.16
    Appearance Colorless to pale yellow liquid
    Boiling Point Approx. 151-153°C
    Density 1.25 g/cm3 (at 25°C)
    Refractive Index 1.402 (at 20°C)
    Purity Typically ≥98%
    Smiles CCOC(=O)C(C)C(O)C(F)(F)F
    Melting Point -10°C (approximate)
    Solubility Slightly soluble in water, soluble in organic solvents
    Storage Temperature 2-8°C
    Synonyms Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutanoate
    Ec Number None assigned

    As an accredited Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle, 100 grams, sealed with a screw cap, labeled with product name, CAS number, and hazard warnings.
    Shipping Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate should be shipped in sealed, chemically-resistant containers, kept upright and tightly closed. Store and transport at ambient temperature, avoiding exposure to moisture and direct sunlight. Follow all applicable local and international regulations regarding the shipment of chemicals. Appropriate hazard labeling and shipping documentation are required.
    Storage Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate should be stored in a tightly closed container, in a cool, dry, and well-ventilated area away from direct sunlight and incompatible substances such as strong oxidizing agents. Keep it at ambient temperature, protected from moisture. Ensure proper labeling and follow all institutional and regulatory guidelines for chemical storage and handling.
    Application of Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate

    Applications of Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate in Industrial Manufacturing

    Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate plays a pivotal role as an advanced intermediate in several high-value chemical manufacturing processes. This substance enables improved purity profiles and facilitates precise structural modifications in selected downstream sectors. Below is a detailed overview of principal industrial application scenarios based on our long-term cooperation with specialty chemicals, pharmaceuticals, agrochemicals, and material science industries.

    1. Pharmaceutical Intermediate for Fluorinated Drug Synthesis

    Major global pharmaceutical manufacturers incorporate this raw material into the synthesis of active pharmaceutical ingredients, especially in developing fluorinated analogs to enhance target specificity and metabolic stability. Controlled addition during key steps in multi-stage syntheses enables precise construction of chiral centers and side-chain functionalization crucial to patented drug molecules. The compound’s reactivity and compatibility support process yields, impurity minimization, and compliance with registration dossiers for regulatory submissions in North America, Europe, and East Asia.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredients
    • European Pharmacopoeia (Ph. Eur.) requirements for starting materials
    • U.S. FDA 21 CFR Part 210/211
    • JP (Japanese Pharmacopoeia) for APIs manufactured and exported to Japan

    Typical usage ratio

    • Concentration ranges from 0.5 to 2 molar equivalents per step, depending on the targeted intermediate’s synthetic pathway and desired fluorine distribution; process R&D may fine-tune loading for cost and impurity reduction targets.

    Downstream process integration

    • Material is introduced during the enolate alkylation or as a nucleophile acceptor in the mid-stages of small-molecule synthesis lines.
    • Purity monitoring by HPLC and GC-MS in pilot and commercial scales.
    • Isolation and downstream purification integrate solvent extraction or crystallization, followed by transfer to subsequent coupling or cyclization steps.

    Final product types

    • Fluorinated small-molecule APIs (e.g., antidiabetics, antivirals, CNS drugs)
    • Key registered pharmaceutical intermediates for big pharma partners
    • Investigational new drug (IND) stage materials provided to CDMOs for clinical supply
    • Custom fluorinated fragments for boutique drug discovery projects

    2. Agrochemical Intermediate for Herbicide and Pesticide Active Ingredient Synthesis

    Agrochemical formulators employ Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate as a building block in the production of advanced trifluoromethyl-containing actives, aiming for higher environmental stability and improved bioavailability. This compound participates in step-growth or chain extension reactions during the synthesis of new-generation herbicides and selective insecticides subject to international regulatory review. Close process monitoring ensures compliance with residue and impurity control in accordance with agrochemical registration protocols.

    Industry compliance standards

    • OECD Guidelines for the Testing of Chemicals, including impurity profiling
    • REACH (EC no. 1907/2006) substance registration and data sharing
    • FAO/WHO specifications for pesticide technical material
    • ISO 9001:2015 certified production quality systems

    Typical usage ratio

    • Dosages for active moiety construction range from 5% to 20% by weight in multi-step synthesis, varying based on desired level of fluorination and reaction conversion ratio.

    Downstream process integration

    • Charged into esterification or alkylation reaction sections involving protected catalyst systems.
    • In-line FTIR and GC quality control for early detection of side-products and off-spec batches.
    • Post-reaction hydrolysis or derivatization prior to formulation as technical concentrate.

    Final product types

    • Fluorinated herbicide actives for post-emergent weed control
    • Systemic insecticide active ingredients for foliar and soil application
    • Precursor intermediate stocks for custom synthesis of proprietary crop protection agents
    • Reference standards supplied to regulatory laboratories

    3. Fine Chemical Synthesis for Fluorinated Monomer and Polymer Manufacturing

    Specialty polymer producers utilize this raw material as a functionalized precursor to introduce trifluoromethyl branched motifs into high-performance monomers, co-monomers, or specialty resins. This delivers enhanced hydrophobicity, chemical resistance, and surface energy properties essential for performance coatings, membranes, and elastomeric materials. Controlled integration aligns with downstream demanding application standards in automotive, electronics, and engineered surface sectors.

    Industry compliance standards

    • ISO 14001 for environmental management during fluoride chemical processing
    • UL 94 flammability requirements for polymeric components
    • ASTM D543 chemical resistance testing methods for polymers
    • RoHS Directive 2011/65/EU compliance for restricted substances

    Typical usage ratio

    • Custom-tailored loading typically from 1% to 8% by monomer mass in fluoropolymer architecture; optimization based on monomer reactivity ratio and target physical properties.

    Downstream process integration

    • Feeds directly into pre-polymerization reactors via continuous dosing or batch modulated addition.
    • Real-time viscosity and polymer chain-length monitoring during polymerization steps.
    • Finished resin blending or dispersion with specialty additives prior to final curing or extrusion processing.

    Final product types

    • Fluorinated acrylic and methacrylic monomers for specialty paints and coatings
    • Membrane and film-grade copolymers for chemical separator manufacturing
    • Chemical-resistant elastomers for automotive seals and gaskets
    • High-purity surface modifiers for microelectronics substrates

    4. Intermediate for Advanced Organic Synthesis and Fine Chemicals

    Custom synthesis laboratories and fine chemicals producers apply Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate in chiral pool synthesis, oxidative coupling, or building block installation. Its functional handle positions enable construction of libraries for material science discovery, ligand manufacture, or precision organofluorine intermediates. Extended application covers resource chemical standards and high-purity reference substances for specialty research markets.

    Industry compliance standards

    • ISO 9001:2015 certified full-traceability batch production
    • Analytical method standards such as USP <1225> for method validation
    • Sigma-Aldrich and Merck analytical reference materials practices
    • REACH Article 32 chemical safety information transfer for customers in EEA

    Typical usage ratio

    • Employed at 0.1 to 1.5 equivalents per transformation; for library-scale building blocks, the amount is adapted to substrate scaling and reaction series scope.

    Downstream process integration

    • Reaction setup in glass-lined or stainless reactors under inert atmosphere for sensitive transformations.
    • Purification by column chromatography, preparative HPLC, or crystalline isolation, followed by full analytical release.
    • Final aliquoting for third-party reference and analytical kit assembly.

    Final product types

    • Custom fluorinated chiral building blocks for library synthesis
    • Organofluorine ligands for asymmetric catalysis
    • Analytical reference substances for research and QA labs
    • Material science discovery intermediates for high-throughput testing
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    Certification & Compliance
    More Introduction

    Deep-Dive into Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate: Experience from a Chemical Manufacturer

    Meeting the Chemistry of Change Head-On

    On the production floor, every new molecule tells its own story. Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate has been the subject of much attention in the plant due to its niche capabilities in synthetic organic chemistry and pharmaceuticals. After years of producing both simple esters and highly specialized fluorinated building blocks, we have come to know that certain chemicals are game-changers. Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate is one of those game-changers, and that reputation isn’t hype. Its structure offers a combination of reactivity, stability, and trifluoromethyl functionality you rarely see coming together in a single molecule.

    Model and Specifications from Ground Level

    Our team in synthesis knows that the purity and consistency of a compound like this often dictate the fate of entire reaction series on our customers’ lines. For reference, we prepare this compound with GC purity >98%, and NMR routinely confirms the chemical structure with both proton and fluorine signatures lining up specifically with the molecular design. We see a clear, colorless liquid with a faint ester odor. On a day-to-day basis, chemists in the QA/QC lab check for water content, verify color and refractive index, and track every batch from start to finish. Having built processes around real feedback from medicinal, materials, and agrochemical R&D labs, we also know when customers run into troubles with related esters: whether reacting too slowly, containing too much moisture, or bringing unexpected by-products that complicate purification.

    Unlike more basic butyrate esters, this molecule’s three fluorines all locked on the fourth carbon give it a particular chemical resilience and shift its reactivity in predictable, but advantageous, directions. This means that whether you’re forming more complex fluorinated scaffolds, preparing pharmaceutical lead compounds, or introducing functional groups into plastics or advanced materials, you get less “background noise” from unwanted side-reactions. Unlike standard ethyl butyrate or methyl 3-hydroxybutyrate, the electronic effect of the trifluoromethyl group at the gamma position leads to a compound that resists base-promoted hydrolysis and remains stable in a surprising range of organic solvents. In our view, nothing replaces firsthand familiarity with batch performance, and that’s why continuous improvement isn’t just a slogan in our plant—it’s practical survival.

    The Real-World Chemistry: How We Use It, How Our Customers Do

    Use cases for Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate keep expanding. In the pharmaceutical sector, research chemists reach for this molecule early in the process of synthesizing fluorinated drug candidates. Medicinal chemists have discovered that integrating a CF3 group at the gamma position can dramatically boost metabolic stability, alter lipophilicity, and improve the bioavailability profile of a lead structure. Our production runs for specialty pharma clients often begin with their feedback on impurity thresholds: we have worked closely with them to tune purification procedures and eliminate trace side products that block SAR studies or ruin scale-up.

    On the academic side, synthesis groups tackle new transformations involving enantioselective reductions and functionalizations, often reporting to us their preference for the trifluoromethyl variant when compared to non-fluorinated analogs. Researchers report high selectivity due to the electron-withdrawing effect of the CF3 group, helping suppress over-reduction or unwanted reactivity at the beta-hydroxy position. This matches what our own process chemists have observed—batch to batch, you see fewer process hiccups with the trifluorinated version than with similar hydroxybutyrate esters.

    Venturing beyond pharmaceuticals, its use in specialty chemicals and advanced materials really stands out. High-purity fluorinated butyrate esters like this offer unique properties in coatings, where hydrophobicity and resistance to environmental breakdown are prized. A specialty coatings manufacturer we work with reported a switch to our material after finding that traditional hydroxybutyrate esters degraded under UV-light and high humidity test cycles. In their case, durability in extreme settings made all the difference.

    Behind the Scenes: What Makes This Molecule Different?

    A lot of chemicals sound similar on a spec sheet, but real-world differences show during synthesis and downstream processing. We very rarely see side-product formation in alkylation or oxidation steps when starting from Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate compared to non-fluorinated relatives. This brings fewer headaches to plant operators and smoother product isolation. Teams running gram-to-kilogram scales see that minor chemical quirks—like susceptibility to over-esterification or unwanted polymerization—just aren’t present. In high-throughput environments, this matters not only for product yield but for operational reliability. If a material gums up filters, clogs pumps, or breaks down unexpectedly, production goals don’t get met, and trust in the supply chain breaks down instantly. That’s not a theoretical issue; we’ve seen it, and it’s why we test every lot to real-world, not just analytical, standards.

    Structurally, the difference boils down to the effect of the trifluoromethyl group on both chemical and physical properties. The bonds between carbon and fluorine resist cleavage, pushing up the molecule’s resistance to acids, bases, and even spontaneous decomposition. In practice, this gives you longer shelf life, fewer concerns around storage, and confidence that the key functionalities will still be there weeks or months after shipping. Handling at the plant, we notice spill risks are low thanks to minimal volatility under ambient conditions. This means both better worker safety and tighter environmental controls.

    Reliability: Built into Every Batch

    From the start, bringing this molecule into consistent commercial production required a new approach. Our process development teams spent over a year optimizing every step from raw material sourcing through final isolation to ensure that the trifluoromethyl group remained intact and didn’t lead to cost-prohibitive losses. Key learnings came from scaling up from pilot to full-plant campaigns: solvent choice, reaction temperature, work-up sequences, and storage all needed careful tuning. One of the largest gains came from identifying a more robust drying method—the earlier approach left trace moisture, which slowed reaction rates for some customers. Updated handling now gives water content lower than 0.05% in finished lots, according to regular Karl Fischer titration checks.

    Our analytical team keeps a batch archive with NMR, IR, GC-MS, and HPLC results for every lot. These records are not simply printouts in a binder; they’re living documentation reviewed any time a customer reports even minor process deviations. This attention to detail flows from a culture that values on-the-ground knowledge—learning directly from the chemists and engineers who deal with unexpected challenges in the field and passing that knowledge back into production and QC at home base.

    Supporting Research, Driving Innovation

    We don’t just ship the molecule and disappear. As research applications evolve, especially in fluorine chemistry, we stay in active conversation with the development leads and bench chemists using our products. Several collaborations with university groups have shown how swapping a regular ethyl 3-hydroxybutyrate for the trifluorinated version can flip outcomes in asymmetric synthesis, or reveal new mechanistic pathways that only become accessible through the electron-withdrawing effect of the CF3 group. We support these efforts not only by providing material, but by sharing data on stability, storage, and impurities built up over hundreds of runs.

    It’s commonplace for customers to ask for technical insight they just don’t get from traders or distributors. We have run stability studies over the past three summers to track decomposition pathways at various temperatures and humidity levels just so researchers can confidently plan storage and use. No matter how many certifications or regulatory clearances a product might acquire, the most valuable insight always comes from actual use at real scale, and that is the voice we rely on to guide continuous improvement.

    Troubleshooting: Problems We’ve Seen, Solutions That Last

    Ongoing production never means smooth sailing every day. Like all specialty intermediates, Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate has at times revealed quirks that keep chemists on their toes. One recurring hurdle involved excess formation of a minor monoester impurity during scale-up, especially on hot and humid days. Lab tests didn’t catch it at first, but users downstream found mysteries in their GC traces. By switching to jacketed glass reactors and tighter environmental monitoring in our plant, we clamped down on this and reduced batch variability.

    On the shipping side, packaging failures uncovered another lesson. Initial trial runs used seals ill-suited for aggressive fluorinated esters. Gasket swelling and trace leaks led to off odors and rare but real losses. Working with our packaging supplier (and after some trial and error with different resin formulations), we landed on a HDPE-based system that stands up to the molecule’s reactivity in transit. Since this change, annual wastage measures in single bottled digits, and feedback from clients using the material for medicinal and material syntheses shows they get what they expect, every time.

    Addressing Environmental and Regulatory Concerns

    Regulatory landscapes keep shifting, and as a chemical manufacturer, we stay vigilant on international, national, and even local requirements. With the increased worldwide scrutiny on fluorinated chemicals, we maintain active documentation on effluent disposal, workplace safety measures, and product stewardship. Routine internal audits and close communication with regulatory advisors track shifts in policy, particularly those affecting shipping, worker exposure, and environmental release of organofluorine compounds. Our emission control systems have been updated in the past year, and regular reviews with suppliers double-check that every kilogram we produce and move fits current safety data profiles.

    We’ve seen first-hand how both pharmaceutical and materials companies face delays if unexpected changes in local environmental rules put a pause on processing. Our clients rely on not just the chemical itself, but a supporting network that provides full, accurate, and constantly updated information on safe use, handling, and downstream application. By anticipating these needs and participating in industry groups focusing on responsible fluorinated chemistry, we add a layer of dependability that traders and occasional suppliers rarely match.

    Comparison: Standing Apart from Related Products

    People often ask if the wider adoption of this molecule stems from its trifluoromethyl feature alone, but our experience says there’s more to it. In actual production, the presence of both a secondary hydroxy group and the CF3 moiety sets up a unique pattern of reactivity. Non-fluorinated hydroxybutyrate esters see more rapid cleavage under base, complicating any long-term or high-pH application. Where customers have used the non-fluorinated versions, feedback often covers surprise hydrolysis, decomposition, and sticky residue left in reaction vessels—added cost, lost time, and diminished reliability.

    Switching to other fluorinated esters, for example, simple ethyl trifluorobutyrate, you lose the versatility brought by the hydroxy group at position three. Even small changes—such as moving the trifluoromethyl group or methyl branch—lead to altered boiling points, different stabilities, and ultimately changed reactivity patterns that just don’t fit the increasingly stringent requirements of pharmaceutical and material science synthesis. That’s practical information acquired through repeated side-by-side runs, not just catalog comparisons.

    The Future: A Manufacturer’s Perspective

    This market, centered on specialty and advanced intermediates, keeps evolving. Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate sees increasing adoption by groups looking to meet fresh regulatory demands, pursue ever-more selective synthesis, and construct products that perform under punishing real-world conditions. Our focus as a producer falls on predictability, traceability, and the continuous adaptation of process and application understanding as feedback pours in from hands-on users. Reliable materials open doors for new therapies, advanced electronics, and high-durability coatings—the value chain starts with the people who manufacture base molecules you can count on to behave, batch after batch.

    In today’s high-velocity research and manufacturing environment, shortcuts in documentation, testing, or customer support quickly show up as problems—either in end-product quality, missed deadlines, or lost trust. Our guiding principle is simple but relentless: listen for every bit of feedback, document every lesson, and let real-world performance drive our practices and innovations. The story of Ethyl 2-Methyl-3-Hydroxy-4,4,4-Trifluorobutyrate is, at its core, a blueprint for how new chemistry expands possibility through expertise, communication, and constant learning—not just in the molecule itself, but in the people who produce and power its use worldwide.