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2-Oxo-4-Phenylbutyric Acid

    • Product Name 2-Oxo-4-Phenylbutyric Acid
    • Alias Benzylacetacetate
    • Einecs 210-547-7
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry sales7@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    631208

    Productname 2-Oxo-4-Phenylbutyric Acid
    Casnumber 611-93-4
    Molecularformula C10H10O3
    Molecularweight 178.19
    Appearance White to off-white crystalline powder
    Meltingpoint 110-112°C
    Boilingpoint 376.5°C at 760 mmHg
    Density 1.237 g/cm3
    Purity Typically ≥98%
    Solubility Slightly soluble in water, soluble in ethanol and acetone
    Iupacname 4-Phenyl-2-oxobutanoic acid
    Synonyms Phenylpyruvic acid, 4-Phenyl-2-oxobutanoic acid
    Inchikey YQIELGDFMRXALA-UHFFFAOYSA-N
    Smiles C1=CC=CC=C1CCC(=O)C(=O)O
    Storagetemperature 2-8°C

    As an accredited 2-Oxo-4-Phenylbutyric Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle containing 25 grams of 2-Oxo-4-Phenylbutyric Acid, with tamper-evident cap and detailed chemical labeling.
    Shipping 2-Oxo-4-Phenylbutyric Acid is shipped in securely sealed containers to prevent moisture and contamination. Packaging complies with chemical safety regulations. It should be transported at room temperature, away from direct sunlight and incompatible substances. Proper labeling and documentation accompany each shipment to ensure safe handling during transit and storage.
    Storage 2-Oxo-4-Phenylbutyric Acid should be stored in a tightly sealed container, protected from light and moisture, in a cool, dry, and well-ventilated area at 2–8°C (refrigerator temperature). Avoid exposure to strong oxidizing agents and incompatible substances. Ensure proper labeling, and use personal protective equipment when handling to prevent inhalation or contact with skin and eyes.
    Application of 2-Oxo-4-Phenylbutyric Acid

    Applications of 2-Oxo-4-Phenylbutyric Acid in Industrial Manufacturing

    Our company supplies high-purity 2-Oxo-4-Phenylbutyric Acid to certified industrial producers worldwide. This specialty intermediate serves as a critical component in select fine chemical and pharmaceutical manufacturing workflows, where controlled quality and documented compliance are essential. Below, we detail established commercial applications, including regulatory standards, working dosage ranges, integration in manufacturing sequences, and directly resulting end products.

    1. Pharmaceutical Intermediate for L-Phenylalanine Derivative Synthesis

    Industry leaders in amino acid derivative manufacture use this raw material to access key intermediates for producing active pharmaceutical ingredients. The acid’s controlled reactivity supports critical condensation and transamination steps, enabling precise chiral synthesis of L-phenylalanine analogues required for downstream APIs such as anticonvulsants and metabolic disorder medications.

    Industry compliance standards

    • ICH Q7 GMP Guidelines for Active Pharmaceutical Ingredient Manufacturing
    • European Pharmacopoeia (Ph. Eur.) Monograph 01/2022:0781
    • USP 38/NF 33 Amino Acids section
    • FDA 21 CFR part 210/211 for process controls

    Typical usage ratio

    • Typically 0.9–1.2 molar equivalents relative to the chiral amine reactant; the ratio is adjusted per batch based on target yield and stereochemistry requirements.

    Downstream process integration

    • Charged into the initial condensate step under inert atmosphere after pre-dissolution in methanol or ethanol; used prior to hydrogenation and final crystallization phases.

    Final product types

    • L-Phenylalanine derivatives for API block synthesis
    • Active pharmaceutical ingredients (e.g., antiepileptic and metabolic disorder drugs)
    • Chiral building blocks supplied to international generic pharma partners

    2. Fine Chemical Intermediate in Flavors and Fragrances Manufacturing

    Producers of aroma chemicals employ this compound as a foundational intermediate to access substituted cinnamic acids and aromatic ketones through controlled condensation and rearrangement processes. It supports customized molecule construction for high-value flavor ingredients used in global food and cosmetic products.

    Industry compliance standards

    • International Fragrance Association (IFRA) Standards up to Amendment 51
    • Food Chemicals Codex (FCC), 12th edition
    • ISO 9001:2015 certified quality management
    • EU Regulation (EC) No 1334/2008 on flavorings

    Typical usage ratio

    • Normally 3–8% by weight based on the total mass of precursor blend in batch production; actual dosage depends on conversion yield and targeted reaction scale.

    Downstream process integration

    • Added to the precursor charge during the initial aromatic aldehyde reaction and removed by fractional distillation post-condensation.

    Final product types

    • Cinnamic acid derivatives for flavor formulation
    • Aromatic ketones for perfumery and fine fragrance blends
    • Customized intermediates for food-safe flavoring additives

    3. Precursor for Phenylbutyric Acid-Based Pharmaceuticals (e.g., Urea Cycle Disorder Treatments)

    Bulk pharmaceutical chemical producers select this material for use as a key precursor in the multi-step synthesis of drugs that manage ammonia detoxification and related urea cycle disorders. It enables carbonylation and reduction sequences necessary for bioactive compound construction with tight process monitoring to ensure compliance with pharma-grade purity.

    Industry compliance standards

    • GMP Certification according to Chinese Pharmacopoeia (ChP) and USP requirements
    • FDA DMF (Drug Master File) registration requirements
    • EMA guidelines for starting materials in active manufacturing process (ICH Q11)
    • REACH registration for use as pharmaceutical intermediate in EU

    Typical usage ratio

    • Employed at 1.0–1.05 mole equivalents per downstream coupling step; ratio confirmed by HPLC at incoming QC and revalidated with each batch process scale-up.

    Downstream process integration

    • Fed into catalytic carbonylation or reduction columns after initial activation; handled under closed-system conditions until final API crystallization and drying.

    Final product types

    • Sodium phenylbutyrate and related salts for rare disease therapy
    • Pharmaceutical actives registered for metabolic disorder indications
    • Pre-formulated intermediate compounds for direct tableting or encapsulation

    4. Intermediate in Agrochemical Synthesis (Plant Growth Regulators)

    Several agrochemical plants utilize this compound during serial synthetic steps to generate phenyl-oriented regulators that manage plant physiology and stress resistance. Rigid quality documentation supports compliance with plant protection product registration, and the intermediate’s role in selectivity and conversion efficiency is crucial for downstream production economics.

    Industry compliance standards

    • OECD Principles of Good Laboratory Practice (GLP)
    • FAO/WHO specifications for agricultural chemicals
    • ISO 17025 testing for batch release
    • China Pesticide Registration Guideline (NY/T 789.8-2009)

    Typical usage ratio

    • Most formulations use 2–4% by weight relative to the active moiety; precise loading calculated by reaction scale, catalyst efficiency, and targeted regulator structure.

    Downstream process integration

    • Corresponds to a feed-in during the phenyl ring functionalization stage of synthesis, ahead of separation and formulation for final application trials.

    Final product types

    • Plant growth regulators for cereal and horticultural applications
    • Phenylbutyric acid derivatives registered as agrochemical actives
    • Custom plant protection co-formulants for branded products

    5. Research-Scale Building Block for Chiral Ligand Construction

    Specialist contract research organizations and advanced materials labs procure this compound for assembling novel chiral ligands in asymmetric catalysis development. Traceability, chromatographic purity, and detailed batch analytics enable its use in methods aiming to create proprietary catalysts or study enantioselective reaction systems.

    Industry compliance standards

    • ISO 17034 Reference Material Producer Accreditation
    • OECD Principles for Good Laboratory Practice (GLP) in chemical research
    • Institutional compliance with national environmental and safety regulations
    • Documented trace elements per ACS Reagent requirements

    Typical usage ratio

    • Varies between 0.2–1.5 mmol per reaction in bench-scale synthesis; loading increases with screening library size or pilot-scale exploratory work.

    Downstream process integration

    • Introduced during the enamine/imine formation stage or used in C–C bond formation with metal catalysts; handled under controlled, dry atmospheric conditions.

    Final product types

    • Chiral ligand scaffolds for organometallic catalysis
    • Exploratory catalyst prototypes for pharmaceutical process development
    • Screening compounds for specialty chemical and fine chemical libraries
    Free Quote

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    Certification & Compliance
    More Introduction

    2-Oxo-4-Phenylbutyric Acid: A Core Ingredient for Advanced Synthesis

    Real-World Performance in the Laboratory and Beyond

    In our years producing 2-Oxo-4-Phenylbutyric Acid, we have seen its value proven daily in customer applications that stretch from medicinal chemistry to industrial-scale synthesis. Building strong relationships with R&D teams and production line managers, we’ve shared stories—sometimes over long phone calls—about optimization strategies, expected by-products, and how to cut batch times without sacrificing purity. This compound, distinguished by its molecular structure featuring both a ketone and a phenyl ring, always comes up as a key intermediate that simplifies synthetic pathways for complex target molecules. In making multi-step syntheses more direct, it often becomes the unsung hero that allows researchers and production chemists to focus energy and resources on innovations, rather than troubleshooting bottlenecks.

    Molecular Clarity: Purity, Appearance, and Quality Benchmarks

    Long before any shipment goes out, our teams run HPLC and GC analyses on each lot. Every chemist cares about purity; the difference between 98% and 99.5% can mean more than just numbers—it translates to easier downstream purification and fewer headaches at scale. Our standard batches of 2-Oxo-4-Phenylbutyric Acid present as a pale white crystalline powder, easy to measure out and dissolve. A melting point consistently in the published range signals stability and uniform molecular character. Stored air-tight, the product stays free-flowing and resists clumping, letting formulators weigh without extra grinding or sifting. Over years of scaling up, we’ve kept solvent residues and heavy metals far below globally accepted limits, which speaks to the obsessive attention at every stage.

    Usage: From Drug Discovery to Fine Chemical Synthesis

    Early-stage researchers talk to us about needing gram quantities for SAR exploration, and bulk manufacturers later call for kilo-to-ton batches when a candidate moves closer to regulatory submission. In our own early days, some of our biggest breakthroughs came from listening to a medicinal chemistry group explain how they use 2-Oxo-4-Phenylbutyric Acid to build beta-amino acids, key for peptidomimetic drugs and enzyme modulator design. Its power lies in the reactivity at the diketone position and the stability offered by the aromatic ring—a combination that makes a variety of transformations reliable, even for less experienced operators. Many customers push beyond pharmaceutical use: flavors, agrochemical intermediates, photoinitiators, and functional materials. In every such field, getting consistently high conversion depends on starting material that behaves predictably. Nothing derails a high-stakes run faster than mystery side products from poorly sourced or variable lots. That’s why so many big- and small-scale operations ask about our process, not just our price.

    What Sets Our Product Apart

    Some industry players try to compete on price alone, moving product with barely any process data. We know from conversations with QC directors that for 2-Oxo-4-Phenylbutyric Acid, minor impurities, including unreacted phenylacetic acid or homologous ketones, can cost real money in lost yield and column time. Our focus isn’t just on delivering the COA; we invite partners to review our full chromatograms, even raw data. Years ago, a cleaning validation test prompted us to implement extra filtration steps. Since then, customers have told us that our lots don’t foam or discolor in acidic or alkaline conditions—a simple sign that our process doesn’t leave unexpected polymeric by-products.

    Crucially, our product holds up under long shipping and storage, a detail not everyone gets right. Moisture uptake during transit, or off-odors from residual solvents, risk batch failures. Our approach combines low-moisture packaging, monitored logistics, and batch-specific storage guidance. This might sound like a routine checklist, but after supporting tech transfers to five continents, we’ve watched lesser products fail stability screens or cause surprise results in enclosed pilot reactors. What carries you through scale-up trials is material that doesn’t shift character unexpectedly mid-process.

    Comparing Alternatives

    Customers sometimes ask, why pick 2-Oxo-4-Phenylbutyric Acid versus related ketones or carboxylic acids? The answer is in the chemistry. Sourcing 2-keto acids that fuse aromatic rings is tricky—many suppliers don’t reach the purity necessary for medicinal chemistry or high-tech applications. Even small differences in isomeric content or trace metal contamination leave visible marks in both analytical tracks and regulatory filings. Products made by less rigorous routes often bring larger impurity profiles, which in practical terms means lost weeks for downstream QA, or worse, failed projects. Years spent fielding technical calls have made it clear: researchers value consistent melting behavior, single-pot isolation, and clean spectra over hollow cost savings.

    Among the most common alternatives, homologues such as 2-Oxo-3-Phenylpropanoic Acid or variants with substituted phenyl rings bring different electronic properties and sterics that shift key reaction pathways. Downstream targets often require extra conversion steps, driving costs up not just in time but also in solvent recycling, waste treatment, and documentation headaches. In countless syntheses—α-arylation, reductive aminations, coupling reactions—having the right electronic push-pull from the phenylbutyric motif enables cleaner transformations and simpler purifications.

    Lessons From Decades in Production

    Running our own reactors since the earliest batches, we’ve tuned process conditions with both lab and plant experience. Every scale-up brings new surprises: differences in water capacity, subtle shifts in pH, or condenser leaks seem small but can make the difference between a trouble-free run and an overtime weekend shift. A practical example stands out from a few years back. Demand from a biotech group required us to tighten control of a bromination precursor. It wasn’t just a matter of faster runs; in this business, reproducibility is everything. Sticking to the best flow rates, holding agitation tight, adjusting temperature ramps—hands-on control keeps yields steady, and lets customers go straight to their next synthetic step without hesitating.

    It hasn’t always been smooth. Early on, we faced issues with post-reaction crystallization—an entire batch was lost due to seeded impurities. That taught us to adopt inline monitoring, and replace cloth filters with sterile PTFE cartridges. It cost more up front but paid off with greater batch-to-batch reliability, and fewer customer complaints about “difficult-to-remove spots” in white product. Many clients came to us after frustrating runs with powder that didn’t dissolve properly or foamed excessively, stories that underline the importance of deliberate process refinement.

    Applications That Bring Out Its Strengths

    Pharmaceutical teams favor 2-Oxo-4-Phenylbutyric Acid for forming unusual side chains on core molecules, particularly when library diversity drives structure-activity studies. It’s easy to convert the keto group to an amine, offering a handle for chiral auxiliaries, Schiff bases, or condensation with nucleophilic partners. In pilot trials, medicinal chemists often target this building block to cut synthesis from ten steps to seven, and to swap out toxic metals for cleaner, catalytic protocols. Every kilo saved on intermediates means not just lower cost, but easier paperwork when moving toward clinical trials, where regulators scrutinize every detail.

    Beyond pharma, material scientists and polymer chemists use this compound for introducing rigidity or functional sites into high-performance polymers. Agrochemical teams rely on its reactivity to couple more complex moieties that deliver controlled release or enhanced environmental stability. Smaller custom shops reach out for help with new flavor ingredients and photoinitiator skeletons—projects where early failures often boil down to inconsistent starting material. Having control over molecular features streamlines R&D cycles and shortens route scouting.

    Environmental and Safety Considerations

    Production of 2-Oxo-4-Phenylbutyric Acid always raises questions about waste streams and operator safety. In-house, we have pushed process efficiency by recycling solvents and recovering as much raw material as possible. By tight control over reagents and conditions, we manage to keep side reactions low, so the output needs less post-processing and leaves a smaller environmental footprint. On site, teams know where every kilogram of waste ends up, with training extending not just to our core staff but also to contract drivers and warehouse teams. Our policies go beyond certificates; they’re based in regular walkthroughs and process audits, because one overlooked step can put people or communities at risk.

    Customers care about more than just downstream regulatory compliance. Increasingly, teams working for global markets inspect suppliers not just for ISO or cGMP badges but for transparent waste management, energy use, and risk minimization strategies. We have devoted time and capital to upgrading contained handling for powders, adding scrubbing, and automating key steps; not every company makes these investments, but the trust from our partners and our own conscience demands more than minimum ticks on an auditor’s checklist.

    Supply, Support, and Partnership: Making Chemistry Work Smoothly

    A reliable supply chain isn’t built just by signing contracts for raw materials. In periods of global disruption, we keep extra buffer stocks, so customers can manage their own risks better—no one likes an urgent search for a last-minute backup supplier. Outreach doesn’t stop at shipping: our technical support team, many of them former plant chemists and analysts, answer questions daily. Whether it’s troubleshooting solubility questions, explaining a GC trace, or offering advice on storage conditions during long transits, support comes directly from those who know the product firsthand.

    It’s tempting for some buyers to move between sources chasing the lowest price, but responsible procurement often means sticking with suppliers willing to be transparent about challenges and proactive about improvements. Some of the longest-running collaborations we have started from a phone call about a difficult batch, not an introductory offer. Those customers soon learned that fast, honest answers translate into actual value when deadlines or yield targets are at stake.

    Continuous Improvement: What Future Users Can Expect

    Responding to new challenges means continuing to invest in people, data, and technology. As regulations tighten, customers demand longer shelf life, improved traceability, and ever-lower impurity levels. We continually review both our documentation and synthetic process, regularly asking customers for feedback and inviting them to audit our plant. We treat every suggestion, complaint, or out-of-spec result as a prompt to refine our methods. Software that catches supply chain bottlenecks, new filtration media, improved packaging, and updated in-house training all grow from real-world situations. In this line of chemistry, small improvements add up to major payoffs for every downstream partner who depends on stable, trusted intermediates.

    Meeting New Demands Together

    As applications for 2-Oxo-4-Phenylbutyric Acid expand—ranging from next-gen medicines to high-performance materials—users expect more than off-the-shelf material. They look for strategic partners ready to respond quickly, willing to tailor process or paperwork, capable of supporting unique analytics or custom packaging. Bringing this level of flexibility and openness isn’t easy, but it’s built into our process and in the teams we field every day. Meeting needs that go beyond the specification sheet isn’t just a slogan; it shows up in satisfied feedback and repeat orders.

    Adding value in every shipment, supporting new research, and preventing issues before they affect your lab or line. That’s become the daily routine here, and it’s the standard we hold ourselves to with every lot of 2-Oxo-4-Phenylbutyric Acid we make.