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3-Isopropylphenylboronic Acid

    • Product Name 3-Isopropylphenylboronic Acid
    • Alias 3-Isopropylbenzeneboronic acid
    • Einecs 681-423-6
    • 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

    964727

    Name 3-Isopropylphenylboronic Acid
    Cas Number 105357-04-4
    Molecular Formula C9H13BO2
    Molecular Weight 162.01 g/mol
    Appearance White to off-white solid
    Melting Point 143-146 °C
    Density 1.13 g/cm3 (estimated)
    Solubility Slightly soluble in water; soluble in organic solvents
    Purity Typically ≥97%
    Smiles CC(C)C1=CC(=CC=C1)B(O)O
    Inchi InChI=1S/C9H13BO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7,11-12H,1-2H3
    Storage Conditions Store at room temperature, keep container tightly closed
    Synonyms m-Isopropylphenylboronic acid; 3-(1-Methylethyl)phenylboronic acid

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

    Packing & Storage
    Packing A 25-gram amber glass bottle with a white screw cap, labeled "3-Isopropylphenylboronic Acid, 98% purity, CAS 770650-42-5."
    Shipping 3-Isopropylphenylboronic Acid is typically shipped in tightly sealed containers to prevent moisture and contamination. It is packaged according to regulatory standards for chemical substances, often in amber glass bottles. The material is shipped with appropriate documentation, labeling, and handling instructions, complying with relevant safety and transport regulations.
    Storage 3-Isopropylphenylboronic acid should be stored in a cool, dry, and well-ventilated area, away from sources of moisture and incompatible substances such as strong oxidizers. Keep the container tightly closed and protected from direct sunlight. Store under inert gas, if possible, to prevent hydrolysis and degradation. Always follow local regulations and manufacturer’s recommendations for safe storage.
    Application of 3-Isopropylphenylboronic Acid

    Applications of 3-Isopropylphenylboronic Acid in Industrial Manufacturing

    3-Isopropylphenylboronic acid serves as a specialized boronic acid derivative in fine chemicals, pharmaceuticals, and advanced materials production. Its boron functionality enables high-value coupling and synthesis operations across several distinct industrial fields. As a direct manufacturer, we tailor product specifications to each downstream sector, meeting strict regulatory, formulation, and process requirements.

    1. Pharmaceutical API Intermediate Synthesis

    This compound is widely incorporated into the Suzuki-Miyaura cross-coupling stage during the synthesis of advanced pharmaceutical intermediates. The arylboronic acid functional group is critical for forming biaryl, aryl-alkyl, and aryl-vinyl bonds under palladium-catalyzed conditions. Controlled impurity profiles and lot-to-lot consistency are critical, as the final APIs may proceed into clinical development. Our in-house QC monitors trace boron, halide, and metal residues to meet stringent pharmacopoeial demands.

    Industry compliance standards

    • ICH Q7A GMP for Active Pharmaceutical Ingredients
    • USP/NF and EP guidelines for impurities and residual solvents
    • FDA cGMP (21 CFR Part 210/211) for drug synthesis intermediates
    • REACH (EC 1907/2006) substance registrations for the EU market

    Typical usage ratio

    • Employed at 1.1–1.3 molar equivalent relative to aryl/alkenyl halide component
    • Exact usage depends on coupling reactivity and target yield; QC confirms complete consumption

    Downstream process integration

    • Introduced in the coupling reactor after halide substrate and palladium catalyst charging
    • Carefully monitored for stoichiometry to minimize unreacted excess
    • Followed by aqueous workup, extraction, and chromatographic purification of intermediates

    Final product types

    • Advanced pharmaceutical intermediates containing aryl or biaryl frameworks
    • Small molecule drug candidates for oncology, CNS, and anti-infective indications
    • Custom building blocks for contract research and development

    2. Agrochemical Active Ingredient Manufacturing

    3-Isopropylphenylboronic acid enables regioselective construction of biaryl and aryl heterocyclic motifs demanded in modern crop protection chemicals. Typical applications include coupling with halogenated pyridines or triazoles to afford new-generation herbicide, fungicide, and insecticide scaffolds. Downstream producers require consistent impurity profiles and traceability from raw material batches to finished lot release.

    Industry compliance standards

    • ISO 9001:2015 for quality management in chemical manufacturing
    • OECD Principles of Good Laboratory Practice (GLP) for technical-grade raw material production
    • FAO/WHO Joint Meeting on Pesticide Specifications (JMPS) purity and contaminant limits
    • REACH registration for hazardous substances in agchem compounds

    Typical usage ratio

    • 1.0–1.5 molar ratio relative to chlorinated or brominated heterocycle partners
    • Adjusted according to tolerance of process impurities and downstream isolation yield

    Downstream process integration

    • Charged to main reaction vessel post-dissolution of halogenated agchem skeleton
    • Reaction temperature and base selection tailored for maximum conversion and selectivity
    • Subsequent quenching, liquid-liquid partition, and vacuum drying steps

    Final product types

    • Technical-active ingredients for fungicides and herbicides
    • Intermediates for specialty insecticides with biaryl pharmacophores
    • Building blocks for custom agrochemical product lines

    3. Electronic Materials and OLED Intermediate Production

    Manufacturers in the electronics sector utilize this boronic acid in the synthesis of arylated compounds and complex conjugated molecules crucial for organic semiconductors and OLED emitters. High-purity, trace metal analysis, and moisture control are essential to avoid negative downstream impacts on device efficiency and lifespan. We implement rigorous pre-shipment testing to avoid trace ionic contamination.

    Industry compliance standards

    • ISO 14001:2015 for environmental management during fine chemical fabrication
    • RoHS (2011/65/EU) and REACH SVHC list for electrical and electronic applications
    • IEC 61249-2-21 for halogen-free claims in electronic substrates
    • Customer-defined impurity and analytical COA thresholds

    Typical usage ratio

    • 0.95–1.1 molar equivalent per aryl-halide substrate
    • Tight process control on excess boronic acid to minimize post-reaction purification demands

    Downstream process integration

    • Added after solvent drying in inert atmosphere gloveboxes or reactors
    • All transfers performed to minimize water and air exposure to preempt side product formation
    • Isolated product filtered and sent for additional structural modification or polymerization

    Final product types

    • Biphenyl-based OLED emitter and host compounds
    • Polyarylene monomers for PLED and flexible displays
    • Semi-conductive polymers for organic photovoltaic films

    4. Fine and Specialty Chemical Synthesis

    Producers utilize 3-isopropylphenylboronic acid for the custom assembly of advanced biaryl structures in flavors, fragrances, and other specialty fine chemicals. Customers demand streamlining of reaction steps and strict controls on non-target isomer formation. Application know-how is required to optimize the purity, yield, and odor/organoleptic properties of the downstream specialty compounds.

    Industry compliance standards

    • IFRA (International Fragrance Association) standards for restricted substances
    • ISO 22716:2007 for Good Manufacturing Practices in flavor/fragrance ingredients
    • GHS (Globally Harmonized System) compliant hazard labeling and documentation
    • Customer-mandated residual solvent and impurity limits

    Typical usage ratio

    • 1.0–1.2 molar equivalent per functionalized aryl halide or alkyne target
    • Adjusted for desired selectivity and structure isomer distribution

    Downstream process integration

    • Integrated at the aryl-coupling stage post-activation of heteroaromatic cores
    • In-process GC analysis tracks conversion and side reactions (e.g., protodeboronation)
    • Downstream workup focused on minimal solvent and non-volatile residue transfer

    Final product types

    • Fine fragrance keynotes with unique aryl skeletons
    • Complex flavor enhancers for beverage and confectionery bases
    • Custom aryl-modified specialty chemicals for contract synthesis clients
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    Certification & Compliance
    More Introduction

    Understanding 3-Isopropylphenylboronic Acid: Insights From the Production Line

    A Look at the Chemistry of 3-Isopropylphenylboronic Acid

    In the world of organic synthesis, 3-Isopropylphenylboronic Acid brings its own strengths to the table. Working on the production line, I've seen how this material performs compared to other boronic acids. It features a pronounced isopropyl group at the meta position, which gives it a unique reactivity profile. The chemical formula most commonly referenced for this acid is C9H13BO2, with a molecular weight hovering around 164.01 g/mol. In production, consistency in particle size, purity, and color can make or break downstream applications. Through careful controls, we've reached a purity above 98%, confirmed batch after batch by HPLC.

    Right off the drum, this compound appears as a fine, white to off-white crystalline powder. Optical and analytical checks reveal good crystallinity, which eases handling and weighing. Moisture content remains another critical detail in the boronic acid category, since even a bit of water can interfere with Suzuki-Miyaura couplings or other palladium-catalyzed transformations. We store it in sealed, moisture-proof drums lined with inert films. Since boronic acids tend to form stable cyclic anhydrides in the presence of water, keeping humidity low preserves its reactivity and shelf life.

    Where 3-Isopropylphenylboronic Acid Makes a Difference

    Years in the factory lab have shown me which applications see real gains from using a meta-isopropyl group. In the production of pharmaceuticals and advanced materials, small changes in a coupling partner can create big shifts in biological activity or in physical properties. Medicinal chemists frequently order this product by the kilogram, appreciating its ability to introduce a bulky, lipophilic group onto aromatic frameworks. This addition changes both the electronic and steric profile of the final molecule, which can help a candidate compound interact more selectively with a protein target, or alter how it’s processed in the body.

    In cross-coupling chemistry, the 3-isopropyl substitution affects both yield and selectivity. Some boronic acids work well in the Suzuki reaction but suffer from protodeboronation if not handled gently. From firsthand routine, I know 3-Isopropylphenylboronic Acid consistently tolerates harsher conditions compared with its unsubstituted counterpart—a practical benefit for scale-up runs. It dissolves easily in many standard organic solvents, so reaction setup feels more predictable. Troubleshooting fouling or inconsistent conversions usually steers me back to solvent choice or the catalyst, rather than the boronic acid itself.

    How Process Control Improves Quality

    At every stage in the plant, making a reliable compound means tracking not just chemical composition but also operational stability. Boronic acids carry a reputation for sensitivity, but hands-on experience tells me two things matter above all: keeping raw materials pure, and running under anhydrous conditions. We use high-purity meta-isopropylbromobenzene to feed the boronation process, ensuring trace halide contaminants stay low. Boronation runs in glass-lined reactors under inert gas; temperature swings can change conversion rates fast, so we keep digital controls tight.

    After synthesis, careful crystallization and washing steps strip away impurities. Drying happens under vacuum at low heat, protecting the product from oxidative or hydrolytic breakdown. Over the years, we've improved filter design so that fine, hard-to-remove particles don't stick around for the final fill. Each batch undergoes rigorous checks: melting point, NMR spectra, and boron content analysis confirm identity and purity. If a drum falls outside our accepted standards, it never leaves the site.

    The Impact of Structure on Performance

    Chemists working with boronic acids talk a lot about substitution patterns. 3-Isopropylphenylboronic Acid stands apart from its ortho- and para-isomers in several ways. The meta-isopropyl group blocks undesired side reactions by shielding the aromatic ring. This layout not only dictates which partners it can link with during cross-coupling, but also influences solubility and isolation after the reaction. Compared with the para-isomer, the meta version often displays different rates of reaction and product distribution, a useful lever for synthetic route planning.

    From our vantage at the source, we see patterns over time. Customers running large-scale campaigns point out the meta-isomer’s lower tendency to form oligomers or unwanted byproducts. In process development groups, this trait saves time and money because it lowers the work-up and purification load. Incoming questions about shelf stability or storage loss almost always relate back to structure: the isopropyl group at the 3-position seems to lend both steric and electronic protection, improving the odds that an open drum remains active after months in controlled storage.

    Safety, Handling, and Worker Experience

    On the shop floor, handling boronic acids comes with its own lessons. Where some boronic acids give off noticeable odors, 3-Isopropylphenylboronic Acid stays almost odorless, which speaks to its stability and purity. Splash control and proper ventilation matter less for comfort than for long-term exposure, but our protocols reflect both. Skin contact risks remain low; still, gloves and goggles form our basic equipment.

    As far as transportation goes, the granular consistency of this product resists clumping and remains free-flowing during filling and packing. Our experience shows this physical property makes a big difference for large shipments. If a powder bridges or cakes during transit, downstream users lose time bringing it back to spec. Consistent particle sizing doesn't just help in our plant; it carries through to our customers’ operations. Repeated quality surveys over many years tell us that reducing the need for extra sieving or grinding translates directly to fewer batch failures.

    Compliance, Traceability, and Authenticity

    With client audits filling the calendar, keeping thorough, transparent records has become part of our daily rhythm. Every lot we release records sources of raw materials, reactor logs, and QC test data. In regulated markets, this traceability guarantees that product used in API synthesis meets legal and ethical expectations.

    Trust stands as the backbone of these relationships. By owning the full manufacturing process, we manage risks at the source. We don't adjust documentation to fit market demand; lab reports reflect what comes out of the plant. As both the producer and packager, we field all customer complaints ourselves and carry out investigations in-house. Recalls almost never happen, but should a problem arise, we can track a lot back through every phase of its life cycle.

    Differences From Other Boronic Acids: Practical Perspectives

    Not all boronic acids work the same way in coupling reactions or downstream processing. Having supplied a range of substituted and unsubstituted boronic acids over the years, I’ve seen how even small structural variations force researchers to change their approach.

    Compared with phenylboronic acid, the isopropyl group at the 3-position improves the hydrophobic character of the molecule. This makes it a stronger candidate for building specialized organic frameworks that resist polar solvents or fit into narrow binding pockets. The meta-isopropyl structure can shield the boron center, which lowers the risk of oxidative decomposition—especially during long reactions or under elevated temperatures.

    Compare it with ortho-substituted versions, and a clear difference appears in melting points, crystal form, and even ease of drying. Ortho-substituted boronic acids sometimes suffer from steric hindrance during coupling, reducing yields or forcing users to bump up catalyst loading. The meta configuration of 3-Isopropylphenylboronic Acid avoids this, maintaining efficient cross-coupling while offering the desired steric bulk at a safe distance from the boronic acid group itself.

    In terms of shelf life, this acid also holds up well, especially at controlled room temperature and low-moisture conditions. Other boronic acids often require cold-chain shipping or argon-purged packaging; our facility ships this product in heavy-gauge, resealable liners that keep out both light and oxygen without the need for dry ice. Less specialized packaging means less cost and fewer delays.

    With regard to solubility, users often note fast, even dispersion in standard solvents like THF, dioxane, and toluene. This boils down to the interplay between the hydrophobic isopropyl side group and the boronic acid moiety. Practical differences from other phenylboronic acids emerge during scale-up reactions, where solvent choice defines both the reaction rate and isolation efficiency. Years of batch feedback and internal scale-up tests reinforce our view: the combination of moderate molecular size and the isopropyl group consistently delivers both ease of handling and high chemical performance.

    Why In-House Production Matters For Customers

    Producing 3-Isopropylphenylboronic Acid from start to finish, without relying on third-party processors or tollers, gives us strong control over quality and scheduling. We've built our workflow to answer directly to the needs of chemists running pilot or production-scale programs. Every tweak we make to our crystallization or drying steps comes from real-world results—often feedback from our customers or findings from our own process development lab. In the early years, impurities related to incomplete boronation or wrong solvent choice affected purity and color. By reinvesting in reactor performance and operator training, those problems now rarely occur.

    Owning the process also lets us move quickly on scale-up requests. If a customer calls for five times the usual order because their R&D trial succeeded, we don’t have to wait in line for open plant slots or raw material approvals elsewhere. Communication lines stay short; changes in quantity or packaging happen without red tape.

    Supporting Innovation in Advanced Synthesis

    The demand for high-purity boronic acids shows no sign of slowing down. From my vantage on the line, new fields such as materials science and agrochemicals have joined the traditional base of pharmaceutical customers. We've supplied batches ranging from a single kilogram to multi-ton campaigns. Applications include OLED precursor manufacturing, specialty polymer synthesis, and the generation of sensor molecules for analytical devices. The meta-isopropyl structure provides a subtle 'tuning knob' for both synthetic chemists and materials engineers.

    This acid's selective reactivity can help chemists avoid protecting group steps by directly assembling complex biaryl backbones. In material sciences, drop-casting or spin-coating thin films with this intermediate frequently results in better film uniformity, since the isopropyl group modifies both surface energy and volatility. These performance differences show up not just in academic papers but also on the manufacturing floor—easier purification routines, more robust product, smoother scale-ups.

    Over time, collaborating with end-users has become standard practice. We run pilot-scale reaction trials using customer protocols to see how our product behaves before full shipments leave our site. Problems identified early help us adjust particle sizing, drying times, or even shipping logistics so that recurring headaches in a parallel campaign don't happen. In a sense, the line between factory and laboratory blurs: both sides push toward the same goal—more reliable results, fewer failures, and better novel chemistry.

    Meeting Market Expectations Through Process Improvement

    Market expectations have shifted as customers face new pressures—faster R&D cycles, greater regulatory oversight, and tighter supply chain timelines. Producing boronic acids requires constant review of both regulatory trends and batch process outcomes. Each update in GMP guidelines or customer audit protocol sends us back to review standard operating procedures, chemical hygiene, and environmental controls.

    We've moved away from using volatile, high-toxicity solvents in favor of greener alternatives where possible. Transitioning to solvent recovery, real-time monitoring, and closed-loop waste disposal has cut back on plant emissions, which both improves safety and brings down raw material costs. This responsiveness hasn't just boosted internal safety; it's shown to reduce rejected shipments and meet customer-driven standards for 'greener' chemistry inputs.

    A strong partnership with raw material suppliers means the meta-isopropyl bromide feedstock remains both high in purity and available at short lead times. We keep alternative sources qualified and ready, protecting supply chains against disruption—experience during recent global shipping backlogs underscored how critical this approach can be. Since boronic acids can be sensitive to trace metals, particularly in API production, we've developed in-house trace analysis down to sub-ppm levels, and offer full impurity profiles with every large batch.

    Feedback From the Field: How End-Users Rate the Product

    A steady stream of technical feedback lands on my desk after a large delivery. Chemists most often cite easy handling and excellent purity as leading benefits. In settings with automated dosing or dosing robots, the fine, crystal structure of 3-Isopropylphenylboronic Acid translates into reliable, clog-free progress. During scale-up, the product maintains its reactivity and produces high yields in cross-coupling, even as reaction volumes increase.

    In the case of inconsistent batches, our technical team investigates whether the problem originated with moisture uptake, temperature excursions in shipping, or cross-contamination. Lessons from these rare failures have led us to further reinforce double-layer packaging and shipping in temperature-controlled containers during peak summer months.

    Academic research groups have published significant syntheses and pharmaceutical intermediates relying on this compound, and their publications often cite our batch numbers directly. This transparency helps validate our approach to traceability and gives our operators confidence in the importance of following SOPs.

    Looking to the Future—Adapting to Industry Needs

    Our experience manufacturing 3-Isopropylphenylboronic Acid has shown us that the best results don't come from volume alone, but from attention to detail. A tight feedback loop between production, quality control, and the user community ensures that every shipment enhances chemical innovation rather than hindering it.

    As regulatory requirements evolve and new automation hits the market, we plan to keep running pilot trials, upgrading process controls, and expanding analytical validation. More customers are moving toward continuous or flow chemistry, and boronic acids' role in these methods will only grow. We're investing in both process flexibility and supplier resilience, laying the groundwork for the next generation of fine chemicals—whether for medicine, electronics, or environmental applications.

    At the core, working directly with 3-Isopropylphenylboronic Acid offers a window into how detail-oriented changes can maximize both chemical performance and operational success. By learning from every batch, extending open lines of communication with users, and keeping production grounded in practical realities, we turn a specialty intermediate into a trusted building block for advanced synthesis.