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Phenylmalonic Acid Monobenzyl Ester

    • Product Name Phenylmalonic Acid Monobenzyl Ester
    • Alias Benzyl phenylmalonate
    • Einecs 236-721-6
    • 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
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    Specifications

    HS Code

    178164

    Chemicalname Phenylmalonic acid monobenzyl ester
    Casnumber 4157-81-5
    Molecularformula C16H14O4
    Molecularweight 270.28
    Appearance White to off-white solid
    Meltingpoint 94-96°C
    Solubility Slightly soluble in water, soluble in organic solvents
    Purity Typically ≥98%
    Smiles C1=CC=C(C=C1)COC(=O)C(C(=O)O)C2=CC=CC=C2
    Storageconditions Store at 2-8°C, protected from light and moisture
    Synonyms Monobenzyl phenylmalonate
    Inchikey FHXGKNOVNSLJKR-UHFFFAOYSA-N

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

    Packing & Storage
    Packing Phenylmalonic Acid Monobenzyl Ester, 5g, is packaged in a sealed amber glass bottle with a tamper-proof cap and label.
    Shipping Phenylmalonic Acid Monobenzyl Ester should be shipped in tightly sealed containers, protected from moisture, heat, and direct sunlight. Transport in compliance with local, national, and international chemical safety regulations. Use secondary containment and clearly label the package. Ensure documentation includes hazard information and, if necessary, ship as a limited quantity or dangerous good.
    Storage **Phenylmalonic Acid Monobenzyl Ester** should be stored in a tightly closed container in a cool, dry, well-ventilated area, away from heat sources and direct sunlight. Protect from moisture and incompatible substances, such as strong oxidizers. Store at room temperature, ideally between 2–8°C, and avoid excessive temperatures. Ensure proper labeling and restrict access to authorized personnel only.
    Application of Phenylmalonic Acid Monobenzyl Ester

    Applications of Phenylmalonic Acid Monobenzyl Ester in Industrial Manufacturing

    Phenylmalonic Acid Monobenzyl Ester operates as a key intermediate in several specialized chemical synthesis routes. As a dedicated manufacturer, we supply this material for industries where fine molecular control, compliance, and technical process assurance are mandatory. Below, we detail major downstream segments, the relevant industrial standards, and formulation specifics based on factual market and regulatory needs.

    1. Pharmaceutical Intermediate Synthesis

    Researchers and manufacturers primarily utilize our product in the multi-step synthesis of novel beta-lactam antibiotics and nonsteroidal anti-inflammatory drugs. Its controlled mono-benzyl protection supports active site selectivity, reducing unwanted side reactions and supporting efficient chirality management. Chemists leverage precise addition to optimize the yield and purity during key condensation or alkylation steps, meeting regulatory obligations for trace impurity profiles.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • U.S. Pharmacopeia (USP) General Notices and Requirements
    • European Pharmacopoeia (Ph. Eur.) Monographs for intermediates
    • 21 CFR Part 211 (FDA finished pharmaceuticals)

    Typical usage ratio

    • 0.9 – 1.3 molar equivalents relative to the target amine or acid reactant, depending on the specific molecular architecture of the target compound
    • Process development may require ratio adjustment within 5% tolerance based on pilot batch yields

    Downstream process integration

    • Used in stepwise protection and deprotection sequences during assembly of complex intermediates
    • Feeds into condensation reactions under controlled pH and temperature profiles
    • Serves as a precursor for ester hydrolysis or amide coupling stages in active ingredient refinement
    • Facilitates introduction of phenyl groups into beta-lactam and anti-inflammatory drug backbones

    Final product types

    • Cephalosporin antibiotic intermediates
    • Penicillin analogs
    • Naproxen and ibuprofen intermediates
    • Custom fine pharmaceutical building blocks

    2. Agrochemical Active Ingredient Development

    Producers in the crop protection sector use this ester as a controlled building block for synthesizing herbicide and fungicide actives requiring precise substitution patterns. The monobenzyl structure enables selective transformations essential for delivering site-specific agronomic activity. Downstream partners record reductions in by-product formation and improved performance consistency in field trial batches.

    Industry compliance standards

    • FAO/WHO Specification for Pesticide Technical Material
    • EPA OPPTS Harmonized Test Guidelines
    • ISO 9001:2015 for agrochemical manufacturing
    • REACH Regulation (EC) No 1907/2006 for chemical registration

    Typical usage ratio

    • Up to 1.1 mole per mole of the target synthon in the key coupling stage
    • Proportions adjusted to residue analysis in pilot to commercial scale-up runs

    Downstream process integration

    • Serves as an activated ester for coupling with alkyl or arylamines during active ingredient core assembly
    • Applied in selective hydrolysis-esterification processes for pesticide scaffold assembly
    • Incorporated at regulated stages under closed-system batch reactors for impurity monitoring
    • Feeds into formulation units for technical-grade active composition development

    Final product types

    • Precursor for broad-spectrum herbicide actives
    • Intermediate for cereal fungicides and protectants
    • Custom intermediates for patented agrochemical molecules
    • Multi-functional building blocks for crop-specific formulations

    3. Specialty Polymer Synthesis

    Advanced materials companies incorporate this compound into engineered polymer production, especially where aromatic substitution is crucial for target mechanical or barrier properties. Its reactivity under step-growth polymerization supports backbone customization in small-lot, high-performance resins. Technical teams in R&D plants use this additive for block copolymer production and as a chain-terminating agent in custom functionalized thermoplastics.

    Industry compliance standards

    • ISO 9001:2015 for polymer manufacturing
    • ASTM D6100-19: Standard Guide for Polymer Customization
    • Internal QC specifications validated for monomer purity and polymer performance
    • Environmental regulations: RoHS, EN 16785-2 bio-based content, if required by end-use

    Typical usage ratio

    • Typically 0.5 – 2.0 weight percent of total monomer feed, based on target polymer composition
    • Ratio adjusted after lab-scale extrusion trials and rheological profiling

    Downstream process integration

    • Introduced at the pre-polymerization stage along with initiator and co-monomers
    • Used as an end-group controller to optimize molecular weight distribution
    • Facilitates aromatic group insertion in condensation and addition reactions
    • May enter melt-blending or solution polymerization, depending on resin system

    Final product types

    • High-performance aromatic co-polymers
    • Barrier films for specialty packaging
    • Custom thermoset resins for electronics
    • Technical-grade functional polymer additives

    4. Fine Chemical and Research Reagents

    Academic laboratories and custom synthesis contractors frequently source this intermediate for development of bench-scale probes, chiral auxiliaries, and tailored ligands. Its mono-protected structure is essential for controlled group introduction and selective deprotection experiments, supporting innovation in molecular scaffold modifications. Researchers leverage clean reaction profiles to reduce purification steps in the synthesis of specialty organic and coordination compounds.

    Industry compliance standards

    • OECD Principles of Good Laboratory Practice (GLP)
    • ISO 17025: Testing and calibration laboratory requirements
    • Material Safety Data Sheet (MSDS) compliance
    • Documentation for chemical traceability in research supply chains

    Typical usage ratio

    • Dosed in stoichiometric to slight excess relative to primary functional group under study
    • Amounts optimized per project, rarely exceeding 2 molar equivalents due to reagent value and scale

    Downstream process integration

    • Applied in single or double protection strategies during stepwise synthetic route mapping
    • Included as a selective esterification or deprotection agent in complex molecular assembly
    • Feeds into combinatorial chemistry libraries, supporting building-block expansion
    • Enters screening assays or ligand development protocols with high purity demand

    Final product types

    • Chiral ligands and asymmetric synthesis auxiliaries
    • Proprietary analytical reagents
    • Small-molecule probes for biochemical testing
    • Functionalized specialty research chemicals
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    Certification & Compliance
    More Introduction

    Understanding Phenylmalonic Acid Monobenzyl Ester: An Insider’s Perspective

    A Closer Look at What Sets This Intermediate Apart

    Working with advanced chemical intermediates every day in the lab and on the plant floor, we pick up differences that might not show up in a sales brochure. Phenylmalonic Acid Monobenzyl Ester stands out for several reasons rooted in real production experience and the way customers depend on it for targeted organic synthesis. Most of the demand comes from pharmaceutical research groups and specialty chemical manufacturers who appreciate the flexibility and reliability this molecule brings to reaction sequences.

    As a producer, we understand the importance of purity and consistency in all our lots. Each batch follows strict process control, not only adhering to high-precision analytical checkpoints like NMR and HPLC, but taking environmental controls to heart. Our chemists track every step from raw material selection through final QC. The structure—benzyloxycarbonyl-methyl-acetic acid—offers scope for customization in multi-step pharmaceutical ingredients and fine chemicals.

    What Matters Most in Day-to-Day Manufacturing

    Phenylmalonic Acid Monobenzyl Ester, with a molecular formula of C10H10O4, represents a practical choice for researchers looking to install protected malonic acid residues without unwanted side reactions. The benzyl group on the monoester not only serves as a trusted protecting group but gives a good handle for further transformations: straightforward hydrogenolysis, smooth introduction into more complex molecules, and less chance of over-alkylation than you’d see with fully unprotected malonic acids.

    Over years of scaled synthesis, our team has seen how this monoester bridges the gap between unprotected malonic acid and fully protected diesters. Benzyl esters have proven themselves as safe bets for both storage and reactivity, especially under hydrogenolysis conditions when a clean deprotection is needed. This contrasts with methyl or ethyl derivatives that resist gentle cleavage or require harsher reagents. Labs running multi-step reactions value this control, as do our own process engineers managing cleanup and waste streams.

    Consistency and Purity—Why Laboratories Prefer This Grade

    Research chemists and production managers come to us with tough questions on batch-to-batch variation. Decades in chemical manufacturing have taught our team that keeping purity high—no mystery byproducts, no trace water, minimal residual solvents—keeps projects on track and costs in check. We use robust analytical methods with baseline-corrected HPLC, combined with NMR and titration for trace acidity.

    Our standard product offers minimum purity of 98.5%. Running regular campaigns allows us to monitor every stage, from freshening up silica gel columns for small lots to large-scale distillation in glass-lined reactors. This care ensures minimal color formation, tight residual solvent levels, and eliminates polar or UV-silent contaminants that can complicate later steps.

    Some clients request custom variants—perhaps a tighter specification on water content or packaged in argon-purged containers for sensitive applications. We’re happy to discuss those, since even incremental changes upstream can make a difference in finished yields downstream.

    How Production Choices Affect Final Use

    Choosing the best route isn’t just about getting a molecule on spec. We’ve evaluated both classical esterification and more modern phase-transfer catalytic methods. Each approach has a profile—classical acid-catalyzed esterification serves best for lab-scale orders or rapid custom sample preparation, while a catalytic, solvent-cycled method often makes the most sense for larger volumes.

    Personnel safety and environmental impact matter to us, so we avoid using benzyl chloride routes or other halogenated reagents whenever feasible. Instead, we incorporate in-process controls to catch peroxide formation or other breakdown products and route any off-gas through carbon scrubbing. Even our wastewater treatment follows tight internal standards, aiming to cut the load of recalcitrant aromatics.

    For customers, these internal choices translate into stable supply and cleaner reactions downstream. We’ve heard from process chemists struggling to purify critical intermediates after buying from third-party brokers. Our vertical manufacturing lets us share a clear history of every drum and gives the user confidence that flash chromatography or crystallization won’t get bogged down by hidden surprises.

    Comparisons with Other Malonic Acid Derivatives

    There’s no one-size-fits-all when planning a malonic route. Compared to phenylmalonic acid diesters, the monobenzyl ester unlocks selectivity in acylation, alkylation, and later-stage transformations. Pharmacologists and medicinal chemists have told us they value selective deprotection options and less risk of multiple substitution. Diethyl malonate, while more common and lower in cost, presents issues for late-stage manipulations, especially when you want to control which group stays or goes.

    Our team hears often about challenges with tert-butyl or methyl esters, particularly when volatility or extreme reaction conditions increase either cost or hazard. The monobenzyl ester, by contrast, allows a clean, easily monitored hydrogenolysis that keeps air-sensitive substrates intact. It stores stably over months under nitrogen. Shelf-life is a constant topic; experience shows this product resists autopolymerization and yellowing much longer than some lighter analogs.

    The presence of the phenyl and benzyl groups also changes physical compatibility with organic solvents, supporting quick dissolving in ether, acetonitrile, and DCM. Chemists working in flow or automated systems will appreciate how this improves transfer, prevents deposits in lines, and minimizes the need for extra filtration.

    In Practice: Applications and Customer Stories

    Some of the most interesting work with this monoester comes from developing new CNS-active APIs. We’ve partnered with R&D leaders looking to assemble substituted phenylacetic acids or tailor electron density for receptor-targeting side chains. They rely on efficient benzyl group removal to finish complex routes without scrambling other protecting groups. Even clients scaling to pilot-plant levels in the specialty polymer sector have chosen this ester for functionalization, valuing how it resists hydrolysis in aqueous conditions while reacting smoothly in DCC or EDC-coupling steps.

    It’s not all big-pharma scale. Many university groups push structural boundaries, and we enjoy supplying to advanced organic synthesis or graduate-level coursework. Our own technical support team regularly helps troubleshoot solvent selection, downstream purification, and even contribute tips on simplified work-up drawn from our production notes. This product earned its reputation through hands-on use and real-world feedback, not just in theoretical literature.

    Overcoming Problems and Building on Strengths

    Early batches sometimes showed coloration or tails on HPLC that hinted at bybase in the filtrate. By tightening our post-reaction work-up—modifying the aqueous quench and switching drying agents—we now see clear product every time. This improvement sprang from senior production operators who have worked with phenyl-based esters for years and caught subtle changes in crystal habit or odor before they became serious.

    A consistent challenge sits in packaging and long-haul transport. Our facility team found that switching to fluorinated polyethylene containers reduced static buildup and preserved purity much better over long marine shipments. Every tweak, from filter integrity checks to watching for batch stratification during storage, adds up to better project outcomes for our clients. We stand ready to discuss logistics or lab use openly because the success of this ester in a reaction scheme stems from these incremental improvements earned by practice and honest customer dialogues.

    The Future: Continuous Improvement, Better Supply, and Transparent Support

    Ongoing process monitoring lets us identify small shifts that could affect quality—be it a change in raw benzyl alcohol supplier or a new jacket temperature for crystallization. Real-time trend analysis and feedback from chemical users help us catch problems before product leaves the plant. This vigilance reflects a wider industry trend, as customers demand traceability, proactive communication, and proof that the molecules they receive will behave the same way every time.

    We put great stock in supporting technical conversations around this product. No matter the application—benchmark organic synthesis route, pilot-plant pharmaceutical development, or a teaching lab—our team draws on practical production insights. We share not just a standard but a set of lived experiences, anecdotes about scaling, surprises in filtration, even tweaks to solvent ratios. This approach, more than simply listing a set of standard values, gets good feedback and often leads to new technical collaborations.

    Transport remains a focus. Regulations change, particularly with flammable or aromatic intermediates. In response, we now offer both standard and custom bulk packaging, including UN-approved drums and inerted glass sets for smaller lots. By sharing details about temperature excursions and minimizing transit risk, we help our partners avoid surprises and keep their operations safe and compliant.

    Why Direct Manufacturing Matters

    Our history with this ester taught us that vertical integration—owning the entire process from raw benzoic acid input to finished, labeled container—means more than just supply security. It earns trust, both with major accounts running reactors around the clock and with individuals in the lab who need confidence that a bottle labeled Phenylmalonic Acid Monobenzyl Ester will work just as expected. Over time, repeat business and word-of-mouth references have shown the value of knowing exactly where a product comes from, and who stands behind its quality.

    It’s not only chemistry that sets us apart but transparency. We welcome questions, requests for batch documentation, or technical troubleshooting. Sometimes success lies in troubleshooting a new reaction, sometimes simply getting a drum delivered fast and with no hassle. Our long-term aim is to give every user—chemist, engineer, or procurement—this same confidence in every bottle or drum they receive.

    Practical Notes on Use and Handling

    On the bench, Phenylmalonic Acid Monobenzyl Ester pours easily as a crystalline powder, and its stability under atmospheric conditions allows for safe weighing without immediate re-sealing. In our experience, best storage conditions keep it dry, away from direct sunlight, and at modest temperatures. Waste minimization guides how we handle washings, and we always recommend standard PPE and secondary containment—habits built into our workflow.

    Solubility favors organic solvents. In practical terms, users working up from solution often find a simple aqueous quench and extraction with DCM or ether suffices. Column purification proceeds cleanly, especially when users avoid high alkalinity in initial stages. We encourage those unfamiliar with benzyl ester reactivity to consult us for guidance—our own team has decades of cumulative troubleshooting logged.

    Summary of What Sets Phenylmalonic Acid Monobenzyl Ester Apart

    Direct feedback tells us this product provides a reliable balance between reactivity and selectivity, from R&D synthesis through commercial manufacture. Real supply chain traceability, ongoing analytical investment, and a spirit of sharing practical know-how help ensure that Phenylmalonic Acid Monobenzyl Ester performs its role smoothly in any synthetic scheme. As a manufacturer, we see value in continuing to learn with our customers, refining each aspect—process, packaging, troubleshooting—to ensure future projects run even better than the last.