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2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone

    • Product Name 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone
    • Alias BCE
    • Einecs 674-392-6
    • 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

    469204

    Chemicalname 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone
    Molecularformula C11H7BrClNO2
    Molecularweight 316.54
    Casnumber 881674-89-1
    Appearance White to off-white solid
    Purity Typically ≥98%
    Solubility Soluble in DMSO, DMF, and possibly other organic solvents
    Storageconditions Store at 2-8°C, dry and away from light
    Synonyms 2-Bromo-1-(3-(4-chlorophenyl)-5-isoxazolyl)ethanone
    Smiles Brc1cc(=O)oc(n1)c2ccc(cc2)Cl
    Inchikey QGDXKJZXDIJOKU-UHFFFAOYSA-N

    As an accredited 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Sealed amber glass bottle containing 25 grams, labeled with chemical name, formula, hazard warnings, batch number, and manufacturer details.
    Shipping The chemical 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-ethanone is shipped in tightly sealed, inert containers, protected from light and moisture. Shipping complies with relevant hazardous materials regulations, using appropriate labeling and documentation. Packaging ensures stability and prevents leaks or contamination. Transport is typically arranged via certified carriers specializing in chemical handling.
    Storage 2-Bromo-1-[3-(4-Chlorophenyl)-5-isoxazolyl]-1-ethanone should be stored in a tightly sealed container, protected from light and moisture, in a cool, dry, and well-ventilated area. Keep away from sources of ignition, strong oxidizing agents, acids, and bases. Ensure all storage complies with relevant chemical safety regulations and that the substance is clearly labeled to avoid accidental exposure or misuse.
    Application of 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone

    Applications of 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone in Industrial Manufacturing

    As the direct manufacturer of 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone, we support global industry leaders with targeted grade solutions for advanced synthesis. Our material serves as a critical intermediate in the specialized production lines of pharmaceutical APIs, agrochemical actives, specialty dyes, and fine isoxazole derivatives. Detailed application mapping below demonstrates real industrial usage specifics, regulatory pathways, process positioning, and typical formulation ranges supported by our precision supply.

    1. Pharmaceutical Intermediates for Isoxazole-based APIs

    Our material is used in the selective synthesis of isoxazole-core active pharmaceutical ingredients, serving as a key acylation and bromination reagent in regulated manufacturing. API producers integrate it within multi-step routes to yield clinical-phase and commercialized drug compounds targeting CNS, oncology, or anti-infective indications, with end use in finished prescription medicines. Compliance and process needs link directly to regional requirements for each drug master file and final product specification.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredient Production
    • 21 CFR Part 211 FDA cGMP (USA)
    • EU EudraLex Vol 4 Annex 13 (Europe)
    • Pharmacopoeia references: USP, EP, JP submission batches

    Typical usage ratio

    • Dosage: 0.3–0.9 mol equivalent, dependent on target API synthetic step
    • Reactant mass ratio adjusted based on isoxazole substitution pattern
    • Solvent:DMF, DMSO, or acetonitrile media (solubility-driven)

    Downstream process integration

    • Phase: Introduced at step 2 or 3 in isoxazole core assembly
    • Technique: Controlled addition, batch or continuous stirred reactor
    • Quenching, extraction, and purification following ring closure or coupling

    Final product types

    • Active pharmaceutical ingredients: CNS drugs, kinase inhibitors, anti-virals
    • Clinical trial material (CTM)
    • Regulatory reference standards
    • Registered starting materials (RSM) for downstream conversion

    2. Key Intermediate for Agrochemical Active Ingredients

    Leading crop protection chemical manufacturers use this compound as a core intermediate in the synthesis of novel herbicides and fungicides containing substituted isoxazole motifs. The reactivity of the bromo- and ketone functional groups ensures efficient coupling into heteroaromatic scaffolds with biological activity. Agrochemical application lines require rigorous control over residuals and traceability across synthesis, particularly for export and registration compliance.

    Industry compliance standards

    • FAO/WHO Codex standards for pesticide active manufacturing
    • OECD GLP for active ingredient synthesis (where data required)
    • ISO 9001:2015 audited quality management system
    • Chinese Agricultural Standard (NY/T) for pesticide formulation intermediates

    Typical usage ratio

    • Process input: 10–25% w/w relative to target agrochemical batch
    • Varies by whether forming a mono- or bis-substituted heterocycle
    • Adjusted by catalyst load—typically copper(I) or palladium(0)

    Downstream process integration

    • Step: Early-stage aromatic isoxazole ring construction
    • Reactor: Glass-lined or stainless steel continuous-tonnage kettles
    • Followed by hydrolysis, crystallization, or salt formation

    Final product types

    • Technical-grade herbicides (e.g., oxazole class)
    • Broad-spectrum fungicides for commercial agriculture
    • Patent-protected pre-emergent weed control agents
    • Active ingredient concentrates for downstream formulation

    3. Intermediary for High-Purity Isoxazole Specialty Dyes

    Our chemistries support dye manufacturers focused on specialty colorants based on isoxazole skeletons, where substituent pattern directly affects hue and fastness. The bromo group allows for high-yield coupling or further derivatization, enabling synthesis of pigments with tailored lightfastness, solvent compatibility, and substrate affinity critical to advanced textile, printing ink, and plastic coloration sectors. Quality-critical applications demand statistical control of isomer content and trace metal contaminants.

    Industry compliance standards

    • REACH Annex XVII (EU) – Restrictions on aromatic amine content
    • ISO 105-B02/B04/B07 for colorfastness testing
    • GMP for colorant production (EU/US Textile sector)
    • OEKO-TEX Standard 100 where textiles are final use

    Typical usage ratio

    • Intermediate loading: 15–40% by weight in dye intermediate batches
    • Yields dependent on desired chromophore formation—adjusted by substituent acceptor/donor profile
    • Solvent choice: NMP or DMF for high conversion rates

    Downstream process integration

    • Positioned at core coupling or condensation step in synthetic dye workflow
    • Batch-fed for stepwise build-up of extended aromatic system
    • Crude product subjected to further sulfonation, metallization, or precipitation as needed

    Final product types

    • Reactive textile dyes (isoxazole-based)
    • Specialty ink colorants
    • Heat-stable plastic colorants for polymer masterbatches
    • Laboratory reference pigment samples

    4. Fine Chemicals Production: Benchmarked Isoxazole Derivatives

    Producers within the fine and specialty chemicals sector employ this raw material to create functionally diversified isoxazole molecules used as analytical reagents, ligand scaffolds, or advanced monomers for research. The compound’s bromo-acetyl-isoxazole structure enables subsequent selective substitutions, esterifications, or reductions, allowing rapid exploration of new structure-property relationships in R&D. Production lines prioritize purity, chromatographic resolution, and batch certification traceability.

    Industry compliance standards

    • ISO 9001:2015 quality system enforcement
    • ACS Reagent Grade protocols for specialty chemicals
    • Internal analytical purity control (HPLC, GC)—typical >98% purity
    • IATA/IMDG guidelines for shipment of hazardous organic intermediates

    Typical usage ratio

    • Dosing: 1.0 equivalent per functional group conversion (stoichiometric)
    • Scales: 100 g to multi-kilogram pilot plant batches, basis for further process optimization
    • Adjustments based on substitution efficiency in aromatic or heteroatomic coupling

    Downstream process integration

    • Serves as an electrophilic coupling partner in solution-phase synthesis
    • Integrated into stepwise or combinatorial synthesis protocols
    • Cleaning validation and in-process purity assessment precede product release

    Final product types

    • Analytical isoxazole building blocks for chemical research
    • Ligand candidates for organometallic catalysis
    • Custom intermediates for contract R&D
    • Monomeric precursors for isoxazole-based materials development
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    Competitive 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone prices that fit your budget—flexible terms and customized quotes for every order.

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    Certification & Compliance
    More Introduction

    Introducing 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone: Practical Experience From the Manufacturer’s Floor

    Understanding the Compound and Why Chemists Pick This Route

    Making 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone has shown us a lot about what chemists actually value in an intermediate. The structure itself, a bromo-ketone attached to a substituted isoxazole ring, allows for a unique blend of reactivity and selectivity. This sort of molecular framework opens doors in various synthesis routes – you see it in the hands of research teams exploring anticonvulsants, aspiring agrochemical developers, and even those in material science who need high stability without excessive steric hindrance.

    Day in and day out, we work with teams who pressure test their concepts on pilot and commercial scale. They take notice of how the isoxazole’s five-membered ring can tweak the electron flow, making nucleophilic attacks more controlled than with plain aryl bromides. The bromo substituent on the ethanone backbone stands out: it enables efficient coupling, alkylation, or substitution reactions. Whenever a clean reaction is needed without byproduct headaches, chemists reach for compounds with this balance. Over years spent in synthesis shops, these are hard-earned lessons.

    Specifications That Actually Matter on the Shop Floor

    Models and grades have always been points of practical conversation in our plant. We produce this compound primarily at pharmaceutical grade since researchers and process developers often work under strict impurity profiles. Our typical product features a bright, free-flowing crystalline solid—presentation may seem like a small point, but clumping wastes time on scale-up. The batch-to-batch consistency comes from tightly held controls in bromination and isoxazole formation. Purity checks, usually exceeding 99%, lower background signals in reaction analytics, preventing chasing phantom impurities downstream.

    Moisture level holds significance – too dry and handling gets fussy, too much water content risks hydrolysis of the sensitive bromo-ketone. After years of handling these delicate intermediates, we’ve found that keeping moisture well below 0.2% minimizes side reaction risk and protects shelf life during storage and transport. Color and particulate checks have migrated from mere aesthetic criteria to essential QA benchmarks, mostly learned after a few pain points with blocked filters and inconsistent HPLC traces.

    Most supplies head out in airtight, opaque vessels that block UV and reduce oxidation chance. Some customers have asked for custom quantities for scale-up trials, and our experience shows that flexibility in packaging changes outcomes for project teams. Standard packs used to be drum-only, but now we cut custom lots when development programs need to keep costs lean, avoid wastage, or split for parallel trials.

    How Usage Looks from a Manufacturer’s Training and Troubleshooting

    Chemists constantly send feedback that highlights efficiency in both bench-scale and pilot runs. The bromo-ketone moiety provides a reliable handle for nucleophilic substitution, but it’s rarely as simple as “add and stir.” Our technical support teams get involved whenever solubility comes into play — this compound generally dissolves well in polar aprotic solvents like DMF, DMSO, or acetonitrile. Once, a team tried scaling in standard ethanol but hit yield issues due to partial precipitation and uncontrolled exotherm, so we walked through solvent swapping protocols based on our batch records.

    Handling safety crops up in nearly every technical discussion. The bromo and keto functions create some volatility, and aggressive acids or bases lead to decomposition. Our crews learned—sometimes the hard way—to run all ammonium washes or work-up steps in steel, never glass-lined, due to pH swing and reactivity with residual bromine. It’s this sort of boots-on-the-ground experience that doesn’t fit neatly into safety data sheets but makes a difference in reproducibility and operator safety.

    A lot of research programs look for selective arylation, and the para-chlorophenyl group on the isoxazole ring offers stability without excessive electronic deactivation. Projects focused on kinase inhibitor scaffolds or advanced materials manufacturing — they’ve both benefited. Researchers have run Suzuki or Stille couplings with this bromo-ketone as the entry vector. As more feedback arrives, we compile troubleshooting steps: solvent selection, temperature gradients, and even the sequence of catalyst charge. These “soft” data points land in regular internal workshops, years after the product rolled off the line.

    Real Differences — Not Just Numbers on Specification Sheets

    A frequent question has always been: what’s the difference between this isoxazole-substituted bromo-ketone and plain 2-bromoacetophenone or simple aryl-bromo compounds? It comes down to why certain properties drive progress in pharma and advanced materials. Isoxazole’s heterocyclic nature introduces polarity and slightly different π-stacking, enabling greater solubility in certain organic media — and sometimes lowering tox profiles required in tighter regulatory regimes.

    Chemically, regular 2-bromoacetophenone lacks the rigid isoxazole ring, resulting in very different reactivity. With our compound, the isoxazole group buffers reactivity, so end-users run fewer side reactions and hit better yields in coupling or cyclization steps. Teams evaluating analogs for CNS-active projects appreciated this: their assays looked cleaner, and failure rates from side products dropped. There’s also a mechanical difference; isoxazole-containing products tend to melt at higher points, which translates to better stability during transit in warmer climates.

    We’ve processed customer returns and competitor samples. Lower-end versions sometimes arrive off-white or faintly yellowed, missing critical stability, usually due to shortcut recrystallization or out-of-spec bromination steps. Our approach, shaped by hands-on feedback, anchors around vacuum filtration and repeated drying cycles—every time this shows up in clean analytics and downstream performance.

    Quality From the Manufacturer’s Shop Floor: Lessons Learned

    The biggest lesson over years of production? Small changes in reagent selection, water activity, or even temperature gradient in bromination produce massive variation batch to batch. Process R&D teams tried everything from sodium bromide to direct NBS bromination for the bromo insert. Our field is littered with stories from operations scaling up from a 2-liter flask to 200-liter line; the way agitation and temperature probes behave at those scales would surprise you. Scale-up isn’t linear, and time spent running pilot trials helped us refine agitation speed, baffle design, and even manway sizes for easier sample collection and troubleshooting.

    We’ve invested in pilot suite upgrades after seeing a few batches foul during the isoxazole synthesis step. Impurities here follow whoever’s not watching pH and exotherm control closely. Newer automatic pH controllers, chillers set with redundancies, and inline sampling transformed our cycle times and reduced batch rejections. The production team started archiving not just yields, but IR spectra, photometric traces, and in-process impurity profiles. Customers started noticing when filter blockages and chromatogram spiking became rare; the time spent on root-cause investigations translates to smoother downstream campaigns for everyone.

    Batch-to-batch documentation accumulates its own “tribal knowledge.” The crew shares logs, not just on yield and moisture, but notes like “run slow cooling after isoxazole ring closure” or “double-check halide spot tests before scale-out.” As a manufacturing crew, our experience stripped away the illusion that chemical purity is simply the absence of contaminants; instead, it’s the consistent shape, color, melting point, and reaction viability that mean fewer headaches for QA, safer handling for operators, and cleaner outcomes in the customer’s lab.

    Environment and Safety: What the Plant Teaches Over Time

    Every operator learns on the floor what the real risks are beyond lines on an SDS. Bromo-ketones, even handled carefully, demand respect for both acute and chronic exposure risks — so our shop dogs have drilled routines for vacuum transfer, PPE inspections, and rapid spill response. Experience tells us that long-term reliability beats chasing higher yields at the expense of daily safety. Recrystallization, drying, FMEAs (failure mode and effects analyses) all feed back into revised protocols, and we dedicate significant time each quarter reviewing close calls at tailgate safety meetings.

    On the environmental side, real cost comes from improper waste handling and not building in redundancy. We run closed-loop systems for bromine capture; after watchful review, we installed additional vapor scrubbers and switched to low-chlorine wash cycles for rinse-outs. Not only did this move reduce total brominated waste, but field teams confirmed fewer shutdowns from fouling in nearby utilities. It’s the sort of direct cause-and-effect you only learn by managing hundreds of batches in one facility.

    Customers have asked us about sustainability and traceability; years in the business taught that flashy certifications mean little if a plant can’t replicate the same product week after week or track back every drum to a set of shift logs, test results, and shipment records. Our experience taught us that being transparent—and relentlessly detailed—earns more repeat business and trust than any slogan or green label.

    Supporting the Real Work: Product Flexibility in Action

    Years at the coalface taught our operators and technical support why flexibility in manufacturing pays dividends. Research labs, pilot plants, and full commercial sites all run under different pressures. Small-scale researchers want trial lots to screen in new syntheses; commercial process engineers care about continuity and avoidance of supply-related scale interruptions. Some customers need product at specific particle size for filtration reasons, and hitting these requirements consistently has grown into a specialty. We spent time recalibrating milling and sieving operations, once even running overnight shifts to deliver a finer grade for a high-stakes pharma client needing improved dissolution in their salt-forming step.

    Requests come in for custom packaging — everything from small amber glass bottles for rapid screening programs to lined metal drums for long-haul distribution. The focus rests not on “customization” for its own sake, but on solving bottlenecks for end-users. Shipping out smaller lots for new process validation runs builds loyalty; larger drums for established lines reduce risk of mid-project delays. Over time, this approach fostered close partnerships, and more feedback, which led to continual process improvements.

    Real-World Application Cases and Lessons From Scale-Up

    New users sometimes ask what to expect during introduction in a new synthesis route or scale-up campaign. We share both our own stories and lessons collected from partner sites who trialed our product in dozens of workflows. In one campaign, a pharmaceutical group switched to our isoxazole-bromoethanone after a competitor’s material failed at the upscaling stage due to crystallization issues. After reviewing our technical sheets together, we ran small-lot side-by-side comparisons, tracking HPLC, TLC, and downstream reaction yields. The improved batch consistency wasn’t just numbers – the downstream purification steps ran hours faster, solvent use dropped, and total solvent waste fell by over 15%.

    Another team, focused on advanced organic electronics, selected our product for an arylation step. Routine troubleshooting calls with their lab turned up a previously unnoticed exotherm during the addition phase; sharing decades worth of batch records, we advised a two-stage addition and staged cooling, which brought them back into spec and improved their overall throughput. Cross-talk between our manufacturing and client R&D teams saves everyone time and resources, and nothing beats seeing projects run more smoothly because of effort on both sides.

    Over time, building these partnerships lowered the perceived risk of switching intermediates and encouraged new trial applications even outside the original pharmaceutical field. Success stories rested on shared technical knowledge, not just certificates of analysis or shipping speed. Honest reporting of failures—and fixes—has long outperformed sales brochures in building confidence.

    Continuous Improvement: How Learning Translates to Reliability

    A big part of modern manufacturing culture stems from relentlessly examining what goes wrong, not just what works. Records show where a cooling step failed, or an unexpected impurity popped up in GC traces. As a company, we hold “post-mortems” after internal incidents or a customer finds an off-batch. Real progress comes from taking those lessons and feeding them back into day-to-day protocols—process temperature controls, QA micro-sampling, finished product photometric scans.

    We regularly update internal training manuals, not because regulators demand it, but because junior chemists, operators, and tech support staff need hands-on, up-to-date information about batch variability, safety, and efficiency. Continuous learning around operational errors, handling, purification, and even customer complaints has lifted both morale and batch reliability. More than a few of our best troubleshooting steps started as observations from floor staff—a shift supervisor’s pH monitoring trick now sits in our standard operating procedures for isoxazole closure, and a line worker’s advice on vacuum transfer saved hours of dry-down losses.

    Manufacturing 2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone doesn’t come down to hitting specs alone; it relies on making tough calls, sharing failures, and letting decades of know-how shape what rolls out the door and how we support those who cut new trails in organic synthesis.

    Conclusion: Experience Driving Every Drum Out the Door

    We manufacture this compound—2-Bromo-1-[3-(4-Chlorophenyl)-5-Isoxazolyl]-1-Ethanone—because it solves real-world chemistry challenges for those developing new therapies, new materials, and new ideas. Each batch reflects lessons in synthetic design, hard-won troubleshooting, and ongoing dialogue with end-users. Reliability springs from thousands of hours running, refining, failing, and getting it right on every shift.

    The result is a product with proven stability, reactivity tailored for advanced syntheses, batch consistency drilled into our DNA, and a technical team with no illusions about the hands-on realities of large-scale chemistry. Each order carries that experience—years of steady focus on doing better every campaign, so customers see fewer surprises and more success on the path to breakthrough molecules and applications.

    We look forward to supporting new challenges and new discoveries. Decades on the floor have shown that quality in chemicals has much less to do with claims and everything to do with what’s learned, recorded, and improved batch by batch.