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3,5-Dimethylisoxazole-4-Boronic Acid

    • Product Name 3,5-Dimethylisoxazole-4-Boronic Acid
    • Alias 3,5-Dimethyl-4-isoxazolylboronic acid
    • Einecs 821-723-7
    • 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
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    Specifications

    HS Code

    318494

    Product Name 3,5-Dimethylisoxazole-4-Boronic Acid
    Cas Number 864685-75-0
    Molecular Formula C5H8BNO3
    Molecular Weight 139.94
    Appearance White to off-white solid
    Purity Typically ≥97%
    Solubility Soluble in DMSO, slightly soluble in water
    Storage Temperature 2-8°C, protect from moisture
    Smiles CC1=C(C(=NO1)B(OH)2)C
    Inchi InChI=1S/C5H8BNO3/c1-3-4(2)8-10-5(3)6(7)9/h1-2,7,9H3
    Synonyms 3,5-Dimethyl-1,2-oxazole-4-boronic acid

    As an accredited 3,5-Dimethylisoxazole-4-Boronic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing The packaging is a sealed 5-gram amber glass vial with a white screw cap, labeled “3,5-Dimethylisoxazole-4-Boronic Acid.”
    Shipping 3,5-Dimethylisoxazole-4-Boronic Acid is shipped in tightly sealed containers to prevent moisture and contamination, typically under ambient conditions unless specified otherwise. Packaging complies with chemical safety standards, including hazard labeling. Transport is conducted via ground or air, with documentation provided for safe handling and regulatory compliance. Expedited shipping available upon request.
    Storage 3,5-Dimethylisoxazole-4-boronic acid should be stored in a cool, dry, and well-ventilated area, away from direct sunlight and moisture. Keep it tightly sealed in an airtight container and store at 2–8°C (refrigerator). Avoid contact with strong oxidizing agents. Ensure appropriate labeling and avoid prolonged exposure to air, as boronic acids may hydrolyze. Follow standard laboratory safety procedures.
    Application of 3,5-Dimethylisoxazole-4-Boronic Acid

    Applications of 3,5-Dimethylisoxazole-4-Boronic Acid in Industrial Manufacturing

    As the direct manufacturer of 3,5-Dimethylisoxazole-4-Boronic Acid, we supply this advanced boronic acid derivative to select industrial clients whose downstream applications demand strict attention to purity, traceability, and regulatory compliance. Below, we detail several distinct end-use sectors where our product supports high-value synthesis, with in-depth information on regulatory environment, feed ratios, manufacturing workflow, and end-market product forms.

    1. Pharmaceutical Active Ingredient Manufacturing (API Synthesis)

    Our material acts as a critical intermediate in Suzuki-Miyaura coupling reactions, particularly in the construction of heterocyclic motifs found in kinase inhibitors, CNS agents, and emerging oncology compounds. API manufacturers integrate this boronic acid at the multi-kilogram scale, where traceability, batch homogeneity, and impurity control link directly to regulatory filings and product release specifications.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredients
    • USP & EP monographs (as relevant to final API)
    • FDA 21 CFR Part 210/211 (US Drug GMP)
    • EudraLex Volume 4 (EU GMP requirements)

    Typical usage ratio

    • 0.9–1.2 equivalents per target halide in coupling step; adjusted based on substrate reactivity and process scale-up yield optimization

    Downstream process integration

    • Charged after solvent charge and base adjustment, preceding palladium catalyst addition in the core coupling step; followed by aqueous workup and chromatographic purification of targeted intermediate

    Final product types

    • Small molecule APIs (e.g., kinase inhibitors, CNS candidates, advanced heterocyclic drugs)
    • Intermediates for final step GMP-compliant drug substance synthesis

    2. Agrochemical Active Compound Synthesis

    In crop protection R&D, this boronic acid provides a modular isoxazole fragment for Suzuki coupling, enabling targeted synthesis of novel fungicides and herbicides. Large agrochemical companies utilize the compound for structure-activity exploration and process route development, operating under specific crop chemical registration frameworks.

    Industry compliance standards

    • FAO/WHO Guidelines on Pesticide Specifications and Residues
    • ISO 9001:2015 Quality Management Systems (for upstream/intermediate processing)
    • REACH Regulation (EC) No 1907/2006 (Substance Registration in EU)
    • OECD Guidelines for the Testing of Chemicals, Section 1 (Physical-Chemical Properties)

    Typical usage ratio

    • 1.0–1.05 molar equivalents against aryl halide or heterocycle; ratio is fine-tuned to balance impurity profile and cost in pilot to industrial scale

    Downstream process integration

    • Introduced post-chlorination or bromination, entering key C–C bond formation via cross-coupling, often performed at 60–80°C

    Final product types

    • Agrochemical actives with isoxazole motifs (e.g., experimental herbicide and fungicide leads, registered crop-protection agents incorporating 3,5-disubstituted fragments)
    • Quality-controlled technical grade actives for formulation or further downstream derivatization

    3. Pharmaceutical Process Development for Custom Building Blocks

    Chemical contract manufacturers and pharmaceutical process chemists require this boronic acid for the scalable preparation of custom heterocyclic building blocks, which subsequently enter proprietary libraries or lead compound derivatization pipelines. As the direct source, we support rapid kilo-scale supply with accompanying batch records and full release analytics to enable process reproducibility for clients optimizing medicinal chemistry routes.

    Industry compliance standards

    • ICH Q11 Development and Manufacture of Drug Substances
    • ISO 9001:2015 for synthetic R&D and scale-up
    • SHE (Safety, Health & Environment) protocols as per client’s SOP
    • Chemical Safety Assessment under REACH for process intermediates

    Typical usage ratio

    • Ranges from 0.95 to 1.10 equivalents vs. branch point halides; determined through preparative route scouting to minimize unreacted excess

    Downstream process integration

    • Added during library diversification, often with high-throughput parallel reactors automating Suzuki couplings; batch-verified for isoxazole incorporation into key screening analogues

    Final product types

    • Custom research intermediates
    • Building block arrays for automated synthesis of pharmaceutical libraries
    • Advanced intermediates for preclinical lead optimization

    4. Fine Chemical Intermediate for Specialty Chemical Synthesis

    Certain specialty chemicals producers utilize this compound to introduce structurally unique isoxazole rings into electronic materials, high-performance pigments, and UV-absorbing additive molecules. The tight control over purity and isomeric content is critical for downstream product reliability and regulatory declaration for high-tech industrial applications.

    Industry compliance standards

    • ISO 9001:2015 for specialty chemical production
    • RoHS Directive 2011/65/EU (for electronic chemicals)
    • Customer-specific internal specifications (HPLC/GC impurity profiles)
    • GHS labelling and SDS communication (CLP Regulation (EC) No 1272/2008)

    Typical usage ratio

    • 0.98–1.05 molar equivalents per batch, adjusted according to target pigment or additive molecular weight and desired batch size

    Downstream process integration

    • Blended with core aromatic or heterocyclic units in preparative reactors performing cross-coupling or derivatization, often connected to in-line analytics for color or UV/vis absorbance targeting

    Final product types

    • Electronic material precursors (OLED and organic transistor intermediates)
    • Pigments and dyes with isoxazole substituents
    • Light-stabilizer additives for polymers and coatings
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    Competitive 3,5-Dimethylisoxazole-4-Boronic Acid prices that fit your budget—flexible terms and customized quotes for every order.

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    Certification & Compliance
    More Introduction

    3,5-Dimethylisoxazole-4-Boronic Acid: Real-World Value from the Manufacturer’s Bench

    Product Insight from the Factory Floor

    Every synthesis batch starts with the search for reliability and consistency. Among all the building blocks we handle in our facility, 3,5-Dimethylisoxazole-4-Boronic Acid stands out for filling the demands of chemists who need precision for pharmaceutical research, agrochemical work, and advanced material development. The model we produce carries a purity level over 98%, and analysts in our lab monitor each lot for moisture, trace impurities, and performance in Suzuki and other cross-coupling reactions. We crystallize, filter, and package every lot without leaving any step to chance. Years of scale-up practice show us that even a modest deviation in particle size or moisture brings headaches in downstream processing; we’ve learned to give special care during drying and milling so our customers see uniform material—not flaky inconsistencies or dense chunks that refuse to dissolve.

    Understanding the Role of the Boronic Acid Group

    The boronic acid group tucked at the 4-position of the isoxazole ring transforms basic synthesis into opportunity. Boronic acids connect molecular scaffolds through palladium-catalyzed Suzuki coupling and similar transformations; they open shortcuts to new diaryl or aryl-alkyl linkages and increase efficiency for creating heterocyclic drugs or advanced organic materials. The methyl groups at 3 and 5 positions shield the molecule from unwanted side-reactions, adding stability that is especially appreciated during multi-step synthesis. We’ve heard from customers that, compared to unsubstituted isoxazole boronic acids, our product often delivers higher final yields in complex coupling sequences. The subtle change brought by those methyl groups—often underestimated in textbook examples—reduces oxidation risks under ambient air and shortens purification time.

    Why Our Manufacturing Path Matters

    Scaling up from bench grams to commercial kilograms took more than laboratory theory. In the early years, crystalline purity wavered as boronic acids often trap water during isolation. We worked with a fluid-bed dryer, swapped out filter media, and developed a nitrogen discharge technique to control both purity and handling safety. Our operators now record moisture below 0.5%, and we have in-line NMR checks holding our feet to the fire. This means medicinal chemists do not lose days re-drying or re-purifying, and material keeps its reactivity batch after batch. Shelf stability is no longer a luxury—reliable supply chains demand it as a norm.

    Specifications—Explained Through the Chemist’s Lens

    We see packaging as much a part of the product as the molecule itself. The crystalline powder is filled into amber glass or HDPE containers under inert gas. We avoid oversaturation; the free-flowing granules resist caking, even in humid labs. By limiting exposure to oxygen, we sidestep the spontaneous formation of boroxines or by-products, which cause headaches for downstream synthesis. Our lot-to-lot HPLC chromatograms show minor variances—customers who run mass spectrometry or NMR tell us retention times and fragmentation patterns meet expectations every time, reducing method development frustrations. Nothing ruins a project more than a surprise contaminant at the late stage of development.

    Product integrity depends on consistency. In one case, a pharmaceutical group shared with us that changing vendors mid-project introduced a new signal in their analytical profile. The supposed ‘identical’ chemical had a slight isomer impurity. Their team spent weeks tracking sources and fixing failed reactions. Secure supply from our batch records and full traceability prevents those pitfalls. Synthesis is challenging enough without unplanned variables sneaking in.

    Practical Applications in Laboratory and Industry

    3,5-Dimethylisoxazole-4-Boronic Acid does not just fit one application. Early-stage discovery teams use it for SAR studies in medicinal chemistry, as the isoxazole can mimic a variety of pharmacophores in enzyme or receptor binding sites. Its boronic acid group leads to robust C–C coupling, producing libraries of novel derivatives. Fast turnaround matters, as missed windows in drug discovery are costly. We answer technical calls directly from scientists who have tight project timelines but still want details on solubility in different solvent systems, or advice on how to build stable stocks for automated pipetting platforms.

    Process chemists at larger companies prize our material for ease of handling during scale-up. They describe fewer filtration issues and less resin fouling during workup, thanks to minimal by-products. They appreciate that our powder does not foam in reactors under nitrogen sparging, sparing them lengthy post-reaction filtration. Contract manufacturers who scale their kilolab runs to multi-tonne quantities reference our product as “predictable.” The manufacturing plant’s clean record for batch integrity supports filing regulatory documentation for pharmaceuticals and pesticides. No one wants to run expensive re-qualification protocols due to a simple raw material inconsistency.

    What Sets This Building Block Apart

    The differences become pronounced in the fine details. Some competing boronic acids arrive in amorphous, sticky forms that complicate weight measurements and delay project work. We invest in repeated crystallizations and controlled drying cycles, so the powder remains free-flowing and easy to manipulate. Chemists loading it into automated reactors or high-throughput screening devices mention fewer clogs and errors.

    Another advantage emerges during highly sensitive coupling reactions. Many analogs of isoxazole boronic acids suffer under minor air or moisture contact—years ago, we received returns from labs frustrated with rapid polymerization or oxidative degradation. Our bulk lots stay stable under typical lab conditions for weeks, and our packaging extends shelf life for users who cannot always work under perfect glovebox conditions. It’s not just about the molecule; downstream project risk goes down as reliability of the building block goes up.

    Researchers seeking alternatives sometimes turn to pinacol boronates or potassium trifluoroborates for their greater stability. Those options, though, require extra activation steps, harsher reaction conditions, or generate incompatible by-products. We considered introducing such forms but found our clients preferred a ‘ready-to-go’ acid. Simple choices lower error risks and support tighter process windows, especially in discovery-phase projects with limited starting material.

    Real-World Project Examples and Experience

    We see most repeat orders from teams focused on kinase inhibitor design, antiviral compounds, and crop protection molecule discovery. In kinase inhibitor synthesis, the flexibility of the isoxazole ring unlocks access to new binding space within protein active sites, particularly where the 3,5-dimethyl pattern resists metabolic breakdown. Boronic acid chemistry enables late-stage diversification, which reduces time spent in synthetic sequence design. We’ve reviewed published patents and research papers that detail protocols starting with our product; yields often surpass 80% in key coupling steps, while parallel reactions using less pure material dip well below that mark.

    Agricultural chemical firms using the compound found it adaptable both for lead optimization and pilot plant scale runs. They reported no issues switching between solvents or scaling up, thanks to our reproducible crystallinity and micron-level particle size distribution. This feedback led us to standardize our final drying step and seed crystallization with ultra-fine lots from early pilot batches—real changes rooted in user experience, not paperwork.

    OEM chemical suppliers mention building entire batch syntheses around our 3,5-Dimethylisoxazole-4-Boronic Acid. Its known reactivity profile and thermal stability in handling make it their preferred entry point. We hear from academic labs in North America, Europe, and Asia who use our material to teach advanced organic synthesis. Student chemists can run coupling reactions with fewer variable outcomes—giving them experience with reliable results, not troubleshooting endless side-reactions from poor source material.

    Technical Challenges—And Lessons Learned

    Early process development showed us that the boronic acid’s sensitivity to air and water was not just a theoretical risk. Uncontrolled crystallization or storage exposed the powder to humidity swings that turned it into sticky, unworkable lumps. We began investing in automated moisture monitoring and nitrogen packaging. These improvements did not come cheap, but batch loss rates dropped, and our customer support tickets went from daily emergencies to rare outliers.

    We used to see slight color shifts—pale yellow tints signal trace degradation. Our analytical team increased frequency of UV-Vis and NMR checks, catching lot issues before shipping. Process changes such as shorter transfer times and less exposure to ambient air fixed the issue. We track every internal customer complaint and operator-supplied process tweak, then update protocols to catch issues before they hit the loading dock. There’s no classroom substitute for learning disaster through a lost batch, and the best fixes come from walk-throughs and hands-on maintenance, not theoretical training slides.

    Customers often raise concerns about scale-up transferability. What works on the gram scale can create setbacks at multi-kilo levels without careful monitoring. We provide pre-shipment samples for pilot trials and support real-time process troubleshooting. Users report that our 3,5-Dimethylisoxazole-4-Boronic Acid enables direct scale-up of optimized reactions, usually without rewriting purification or calorimetry parameters. That reduces wasted time and keeps project budgets intact. We design our production runs around these needs, running small pilot lots for feedback before full-scale ramp-up.

    Why Chemists Return to This Compound

    Reliability holds more weight than novelty. Once a chemist finds a building block that works every time, switching sources becomes a last resort. Our repeat order logs tell the story—teams reworking synthetic routes just to stick with our product, academic labs asking for off-cycle samples to fit tight grant-funded projects, and global conglomerates specifying our product in their regulatory filings.

    Legacy process knowledge matters. Our technical support people include chemists who worked the synthesis lines and still troubleshoot on factory floors. Fast, direct answers from real-world practice—not just sales scripts—help solve complex project challenges. The relationship between manufacturer and customer is built over years, with honest feedback about product choices, pack sizes, and improvements.

    We’ve also learned to keep a stock buffer for emergency shipments—project downtime due to missing raw material can cost more than the product itself. Our smallest customers benefit from the same quality as our largest, thanks to batch-level consistency and attention to detail in packaging and shipping.

    Sustainability and Future Directions

    Customer demand for greener manufacturing pushes us to reduce solvent and energy use, cut down on single-use packaging, and recover by-production wherever possible. Recovery and recycling at the plant level remain a top priority. Our team has implemented in-line solvent distillation, palate transfer efficiency tracking, and post-reaction boron recovery methods, reducing waste and utility inputs. Regulatory compliance is more demanding each year, and traceability from raw material to final shipment is now built into every batch.

    Looking forward, we plan to improve shelf stability further, experimenting with new drying and storage methods. Some clients have asked about hydrogenation-resistant or functional group masked versions, which are now under pilot-scale evaluation in our R&D labs. Collaborative feedback is key—no two projects face identical conditions and being open to suggestions drives real process improvement. Quality comes through transparent communication, shared problem-solving, and willingness to revise old habits based on what works in the field.

    Final Thoughts from the Producer’s Perspective

    The value of 3,5-Dimethylisoxazole-4-Boronic Acid comes through in the hands of chemists driving new discoveries, optimizing hard-won protocols, or scaling up new production lines. The experience gained over years of production shapes every batch we ship out. Each lot passes through the eyes and hands of people invested in their craft, and all improvements reflect real-world chemistry—breakage, surprises, late-evening fixes, and lessons learned through both setbacks and successes. Our product brings stability and assurance to the bench, removing obstacles so teams can focus on the next breakthrough, not on fixing preventable issues upstream.