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HS Code |
763825 |
| Chemical Name | 3-Bromo-5-Methylisoxazole |
| Cas Number | 142137-79-9 |
| Molecular Formula | C4H4BrNO |
| Molecular Weight | 162.99 g/mol |
| Appearance | White to off-white solid |
| Melting Point | 59-61°C |
| Solubility | Soluble in common organic solvents |
| Smiles | CC1=CC(Br)=NO1 |
| Inchi | InChI=1S/C4H4BrNO/c1-3-2-4(5)6-7-3/h2H,1H3 |
| Purity | Typically ≥ 98% |
| Storage Conditions | Store at 2-8°C, protected from light and moisture |
| Synonyms | 5-Methyl-3-bromoisoxazole |
As an accredited 3-Bromo-5-Methylisoxazole factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
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The chemical industry never stops evolving, and from years spent working in lab environments, I’ve witnessed how a single compound can shape entire lines of research. Among the flood of new and old reagents I’ve handled, 3-Bromo-5-Methylisoxazole stands out for both its structure and purpose. The isoxazole ring system, with a 3-bromo and 5-methyl substitution, makes this compound a favorite among those pursuing synthesis work with fine-tuned selectivity and predictable reactivity. Chemical innovation often builds on a handful of building blocks, and this molecule quietly anchors more experimentation than it gets credit for.
Looking at the molecular makeup, you see an isoxazole ring at the core, flanked by a bromine atom at position three and a methyl group at position five. That may sound technical, but for chemists it means opportunities. The position of the bromine influences both the chemical’s reactivity and its fit in downstream transformations. In my own bench work, brominated intermediates like this offer strong leverage—bromine brings unique leaving group ability, making the molecule more responsive in reactions like cross-coupling. The methyl group, on the other hand, brings its own subtle spin on stability and solubility. Real science happens when you balance reactivity with control. This particular pairing often does just that.
Specifications don’t tell the whole story, but they matter. Good batches of 3-Bromo-5-Methylisoxazole arrive with a purity above 98 percent, giving researchers a level of reassurance that they aren’t struggling with impurities creating noise in their data. In pharmaceutical labs, where a stray impurity can wreck an entire week’s worth of work, that kind of consistency translates to saved time and fewer headaches. Common solid forms for this compound include a white-to-pale yellow crystalline powder. Handling these, you notice right away if you’re working with a high-quality product. Smooth texture, little to no odor, and easy weighing—everything becomes easier when the compound behaves as it should.
Working with small, functionalized heterocycles usually means you’re building tools for much bigger projects. 3-Bromo-5-Methylisoxazole stands apart for its role in medicinal chemistry. Over the years, I’ve seen it picked up as a key starting material for synthesizing a variety of isoxazole-based pharmaceuticals. Isoxazole rings pop up in antimicrobial, anti-inflammatory, and central nervous system drug candidates. The 3-bromo position lets chemists perform Suzuki, Sonogashira, or Stille couplings to quickly attach other fragments, expanding molecular diversity without complex workarounds. This pathway is especially important for rapid analog synthesis, a process that pharmaceutical discovery relies on to turn a promising hit into a better drug candidate.
Lab-scale research makes up the bulk of usage, but scale-up isn’t out of reach. With proper protocols, you can rely on the chemical for gram to kilogram runs in pilot projects or process fine-tuning. Its moderate melting point and manageable solubility profiles (often good in common organic solvents) lower barriers for those working with both manual setups and automated handling. Because of its relatively standard storage requirements, I’ve found it can share shelf space with a lot of other isoxazole derivatives without worry—just a cool, dry spot and a tightly closed vial will do. No special tricks or extensive protective measures needed beyond normal lab hygiene.
Not every isoxazole brings the same flexibility to the bench. If you’re deciding what to use in a synthetic workflow, you notice quickly that halogen position and ring substitution make a difference. Compared to its 4-bromo or unsubstituted peers, the 3-bromo isoxazole variant tends to enable site-selective functional group installation, which matters when you’re optimizing for a specific pharmacophore or signaling motif. I’ve had projects stall over small shifts in substitution—one isomer would react beautifully, another would fizzle out or introduce conditions that decomposed the entire mixture. Choosing the right ring substitution can mean the difference between shelf-stable, predictable intermediates and a constant scramble to troubleshoot reaction failures.
Substituting at the 5-position with a methyl group nudges physical properties toward easier handling. In some cases, methylated rings can improve solubility in the solvents you’re already using, reducing time spent trying out endless solvent mixes. In contrast, straight 3-bromoisoxazole (without the methyl) sometimes delivers surprising insolubility, especially in high-throughput settings. Any researcher who’s ever watched residue cake at the bottom of a flask understands the value of a compound that behaves just a bit better in solution.
My own interest in heterocyclic chemistry started as an undergraduate, hands stained with all manner of questionable dyes and byproducts. I remember the frustration of working with poorly characterized materials—compounds with an unknown or unstable profile, making every lab practical a guessing game. As education has shifted toward reproducibility and data quality, compounds like 3-Bromo-5-Methylisoxazole help ground training in techniques that actually translate to industry. The chemical’s well-understood reactivity and reliable handling parameters give students a model system for exploring concepts like nucleophilic aromatic substitution, palladium-catalyzed coupling, and structure-activity relationships in drug discovery.
Compared to older or less-pure reagents that I encountered early on, modern samples of this compound reduce the chances of running into frustrating dead ends. Young chemists waste less time purifying out mystery contaminants and instead focus on core synthesis or analytical skills. These small improvements in reagent quality really do stack up as students move into even modest research projects, from senior theses to early graduate work.
There’s a growing expectation for transparency and responsibility in chemical sourcing. Whenever I order a substance like 3-Bromo-5-Methylisoxazole, I care less about slogans and more about documented proof. Batch-level certificates of analysis do more than tick boxes—they give actual information about how the chemical was produced, what contaminants were tested for, and how that batch compares to previous ones. Reputable suppliers invest in quality control, and the best ones respond quickly to questions about traceability. This kind of openness not only backs up scientific claims but helps support reproducibility across different labs and countries.
Chemical stewardship also involves awareness about disposal and storage. After several years in the field, I’ve watched attitudes shift away from “use-and-forget” practices. Although the isoxazole ring system is not especially persistent or bioaccumulative compared to other specialty chemicals, safe handling and disposal protect staff and the environment from unnecessary exposure risks. Many research centers now have straightforward policies for the handling of halogenated intermediates—segregated waste bottles, regular check-ins on reagent expiration, and training updates for all users. Compounds with manageable hazard profiles, like 3-Bromo-5-Methylisoxazole, make those policies easier to implement without major disruption.
No synthetic chemical is free from supply chain strain. I’ve seen demand for specialty intermediates like this one create temporary bottlenecks, especially when global events disrupt the usual flow of raw materials. For smaller labs or startups, bulk pricing and minimum order volumes often become hurdles. Fortunately, as chemical manufacturing becomes more distributed and regionalized, those barriers begin to break down. Custom synthesis firms and specialty catalog suppliers now offer more batch sizes and often give researchers the flexibility to order what they can actually use, not just what fits a vendor’s preferred box size.
Quality control during manufacture presents its own set of needs. Brominated intermediates call for careful control of conditions—temperature, solvent, and purification steps. A lapse here tends to result not just in lowered yield, but in trace impurities that complicate every step downstream, from purification to end-product testing. In my work, I find it pays to stick with suppliers who publish both synthetic method summaries and contaminant profiles. That kind of transparency gives researchers information to make informed choices about which batch (or even which vendor) to commit to.
On the industrial side, 3-Bromo-5-Methylisoxazole’s appeal lies in its ability to fit seamlessly into scalable chemical processes. Contract manufacturers report success using it as a stepping stone for both small-molecule drugs and specialty agricultural compounds. The bromine atom acts as a springboard for more intricate transformations using palladium or copper-catalyzed couplings, translating method development from academic proof-of-concept into scaled, validated steps. I’ve met process chemists who praise compounds like this for minimizing process hazards—avoiding unstable reagents and byproducts while still enabling sophisticated modifications.
Compared to alternative starting materials, it grants a sweet spot between reactivity and manageability. Take the process-scale conversion of isoxazole derivatives into carboxylic acids or alkylated products: site-selective activation with the bromo group can bypass older, less environmentally friendly steps, reducing the reliance on harsh reagents or hazardous waste generators. The trend in industry leans heavily toward green chemistry, and versatile intermediates with straightforward waste handling make that move practical, not just aspirational.
Research doesn’t stop at today’s toolbox. Advanced studies exploit 3-Bromo-5-Methylisoxazole for designing molecular probes, imaging agents, and novel ligand scaffolds. As screening libraries expand, medicinal chemists return to the isoxazole motif time and again because it confers metabolic stability and introduces unique electronic effects. With rigid substitution patterns, scientists can more reliably map out the relationships between structure and biological activity—paving the way for new therapies or more targeted agrochemicals. In my own experience, a reliable supply of this building block translates to tangible acceleration in project timelines, whether you’re measuring enzyme inhibition or screening for crop protection leads.
Collaborative networks between academic and private sector labs also benefit. Shared protocols, published data, and well-documented performance benchmarks reduce the knowledge gap for those just starting out. Even international research consortia often center their protocols on core intermediates like this one, thanks to reliability in preparation and ease of analytical verification. Reproducibility depends on having chemicals that deliver the same result every time—not just in the flagship lab, but in partner facilities across the globe.
Different projects call for different approaches, but most benefit from a few reliable reagents. Whether the aim is building a complex library of analogs, designing more robust catalysts, or tweaking crop protection structures, 3-Bromo-5-Methylisoxazole consistently offers a shortcut through common synthetic challenges. For startups operating on tight budgets and university groups juggling multiple projects, it streamlines workflow by removing the uncertainty of problematic raw materials.
I’ve worked with teams focused on early-phase drug development, where each day of troubleshooting means thousands in lost wages and reagent costs. In these cases, working with known, well-behaved reagents reduces attrition and lets researchers devote more energy to creative problem-solving. Instead of digging through equipment logs or analyzing chromatograms for contamination, attention points to new methodologies, side reactions, and potential breakthroughs.
Some challenges still need more than minor tweaks. Price fluctuations, tied to global markets for bromine and specialty precursors, introduce uncertainty for smaller players. Cooperative purchasing agreements and transparent pricing from suppliers can help spread risk and keep advanced intermediates accessible across the spectrum—from high-throughput screening groups to single-investigator academic labs. More broadly, ongoing dialogue between producers and end-users ensures feedback drives the next wave of quality and process improvements.
Sustainable synthesis also factors in. As tighter environmental standards shape procurement policies, there’s growing demand for greener production. Suppliers with integrated waste minimization and recycling practices deserve a larger share of the market, and end-users can do their part by selecting vendors who publish data on lifecycle impact. A decade ago, these details rarely featured in purchase decisions—now they often make the difference when results need to stand up to regulatory review or grant committee scrutiny.
Success in modern laboratory work depends on more than just ingenuity—it requires reliable materials and honest supplier relationships. Through my own experience and conversations with other scientists, I’ve seen how small improvements in product quality, documentation, and transparency reshape project outcomes. 3-Bromo-5-Methylisoxazole has consistently upheld these values in practice, and that’s what keeps researchers returning to it as a core reagent for everything from bench-scale synthesis to industrial manufacturing.
As research priorities shift and demands on secondary chemicals accelerate, compounds with a proven track record in application and sourcing make progress feel less like an uphill battle. In the end, every breakthrough depends on a series of small choices—reagents included. Improved quality, transparent production, and a focus on both performance and sustainability ensure that new discoveries in isoxazole chemistry aren’t hampered by avoidable obstacles. Those are the qualities a researcher values, and over the years, those are the qualities that make 3-Bromo-5-Methylisoxazole more than just another chemical—it becomes an enabler for real-world progress.