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3-Tert-Butoxy-3-Oxopropanoic Acid

    • Product Name 3-Tert-Butoxy-3-Oxopropanoic Acid
    • Alias BOC-oxo-acetic acid
    • Einecs EINECS 251-824-8
    • 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

    312064

    Iupac Name 3-tert-butoxy-3-oxopropanoic acid
    Molecular Formula C7H12O4
    Molecular Weight 160.17 g/mol
    Cas Number 114772-54-2
    Appearance White to off-white solid
    Melting Point 72-75°C
    Density 1.18 g/cm³ (approximate, solid)
    Solubility In Water Slightly soluble
    Pka 3.5 (approximate, carboxylic acid proton)
    Smiles CC(C)(C)OCC(=O)C(=O)O
    Inchi InChI=1S/C7H12O4/c1-7(2,3)11-4-6(9)5(8)10/h4H2,1-3H3,(H,8,10)
    Storage Conditions Store at 2-8°C, protected from moisture
    Synonyms 3-(tert-Butoxy)-3-oxopropanoic acid

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

    Packing & Storage
    Packing The chemical is supplied in a 100g amber glass bottle with a screw cap, labeled with hazard information and storage instructions.
    Shipping 3-Tert-Butoxy-3-Oxopropanoic Acid is shipped in tightly sealed containers to prevent moisture ingress and contamination. It should be packed according to chemical safety regulations, with appropriate hazard labeling. Store and transport under cool, dry conditions. Handle with care, ensuring compliance with local and international shipping guidelines for chemical substances.
    Storage 3-Tert-Butoxy-3-oxopropanoic acid should be stored in a tightly sealed container, protected from light, moisture, and incompatible substances such as strong oxidizers and acids. Store at room temperature in a cool, dry, well-ventilated area. Avoid prolonged exposure to air to prevent decomposition. Always label containers clearly and follow all relevant safety and chemical handling guidelines.
    Application of 3-Tert-Butoxy-3-Oxopropanoic Acid

    Applications of 3-Tert-Butoxy-3-Oxopropanoic Acid in Industrial Manufacturing

    3-Tert-Butoxy-3-oxopropanoic acid is a specialized intermediate widely adopted in fine chemical manufacturing. As the original manufacturer, we supply this raw material to several advanced segments where it supports key synthesis steps, meets strict regulatory requirements, and enables high-value end products. Below we detail major downstream application scenarios along with compliance, process, and formulation specifics for industrial partners.

    1. Pharmaceutical Intermediates for Cardiovascular Active Compounds

    This molecule plays a crucial role as a protected β-keto acid intermediate in multi-step synthesis of certain cardiovascular drug precursors. It supports building complex molecular frameworks under controlled conditions. Downstream pharmaceutical manufacturers leverage its tert-butoxy protective group in synthesis of acebutolol and related β-blockers, ensuring high purity and batch consistency for APIs. Our in-process QC aligns with customer validation protocols, supporting continuous flow production and reducing risk of intermediate degradation.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • 21 CFR Part 210/211 (U.S. FDA cGMP)
    • Chinese Pharmacopoeia, European Pharmacopoeia (as intermediate controls)
    • ISO 9001:2015 for quality management in API production

    Typical usage ratio

    • Introduced at 1.0–1.3 molar equivalents to core amine/phenol substrates, with stoichiometry adjusted by route design, typically 0.5–5% of total batch mass.

    Downstream process integration

    • Charged during protected acid coupling steps.
    • Protective tert-butoxy group enables selective ester hydrolysis control in subsequent reaction stages.
    • Acid deprotection carried out before final crystallization or API salt formation.
    • By-product management pre-aligned with cGMP impurity specifications.

    Final product types

    • Pharmaceutical intermediates for β-blockers (e.g., acebutolol, atenolol families)
    • Pre-API compounds for other cardiovascular ingredients
    • Clinical-grade intermediate stock for research and pilot-scale synthesis
    • Custom intermediates for contract API manufacturing

    2. Agrochemical Synthesis: Herbicide and Fungicide Intermediates

    Chemical manufacturers incorporate 3-tert-butoxy-3-oxopropanoic acid as a C3-building block in the construction of heterocycles and substituted aromatic rings required for selective herbicides and fungicides. Its masked ketoacid group offers efficient introduction of functionalized propanoic acid moieties, allowing precise post-modification before formulation. Downstream processors utilize reaction schemes where careful acid release tuning enhances yield and simplifies purification, supporting regulatory compliance with agrochemical production requirements.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • Chinese Ministry of Agriculture GB/T13254 for pesticide active ingredient quality
    • ISO 9001:2015 implemented for traceable batch records
    • REACH Regulation (EC) No 1907/2006—use scenario documentation

    Typical usage ratio

    • Determined by targeted herbicide structure; generally 0.8–1.5 molar equivalents per aryl substrate, representing 2–8% of total reaction mass in multi-step synthesis.

    Downstream process integration

    • Employed during formation of aryl ketoesters.
    • Undergoes selective deprotection during cyclization/hydrolysis steps.
    • Facilitates introduction of carboxy/protecting groups downstream in formulation.
    • Enables targeted impurity profile adjustment before technical material isolation.

    Final product types

    • Active intermediates for phenoxyalkanoic acid herbicides
    • Precursors for systemic fungicide molecules (triazoles, strobilurins)
    • Multi-functional technical concentrates for bulk agrochemical manufacturing
    • Custom intermediates for seed coating active ingredient blends

    3. Specialty Monomers for High-Performance Polymers

    Specialty polymer producers utilize this ketocarboxylic acid to introduce flexible carboxy-functional side chains in multi-block copolymers. Its unique tert-butoxy protecting group tolerates mild copolymerization conditions and enables controlled hydrolysis, facilitating design of functionalized acrylics with tuneable solubility profiles. Industrial partners implement this raw material primarily in segmental modification of engineering polymers for automotive coatings and adhesives, demanding trace metal and low oligomer content for QA approval.

    Industry compliance standards

    • ISO 14001:2015 for environmentally responsible production
    • ISO 9001:2015 quality system for specialty materials
    • GB/T 20103 for specification of high-performance resins (China)
    • REACH (Safety Data requirements for polymer precursors)

    Typical usage ratio

    • Typically 0.5–3.5% w/w in final copolymer batch, according to target flexibility and crosslinking density; ratio may be optimized for end-use mechanical property targets.

    Downstream process integration

    • Added during bulk copolymerization with acrylate, methacrylate, or vinyl monomers.
    • Processed under inert atmosphere to prevent premature acid hydrolysis.
    • Deprotection conducted post-polymerization using mild acidic conditions.
    • Followed by vacuum drying and pelletizing for downstream compounding.

    Final product types

    • Engineered polymer resins for solvent-resistant adhesives
    • Elastic acrylic copolymers for automotive or electronics encapsulation
    • Coating additives for improved scratch resistance
    • Advanced films for industrial packaging

    4. Fine Organic Synthesis for Active Flavors & Fragrance Precursors

    Flavor and fragrance ingredient producers deploy 3-tert-butoxy-3-oxopropanoic acid during crafting of complex esters and acids employed in modern perfumery and food additives. Its tert-butyl protection permits controlled removal, enabling flavor chemists to introduce propanoic acid units at specific positions late in synthesis. These steps require high-purity, food-grade raw material supplied under strict batch segregation and low-risk of microbial contamination, allowing downstream use in high-purity aroma compounds for regulated markets.

    Industry compliance standards

    • IFRA (International Fragrance Association) Standards for ingredient purity
    • FEMA (Flavor and Extract Manufacturers Association) GRAS protocols
    • GB 2760-2023 (China Food Safety Standard for Food Additives)
    • ISO 22000:2018 food safety management in flavor ingredient production

    Typical usage ratio

    • Used at 0.5–2.0% of reaction mass during flavor precursor synthesis; adjusted to meet downstream aroma profile or flavor intensity targets, while ensuring compliance with residue limits.

    Downstream process integration

    • Introduced in esterification stages to stabilize reaction intermediates.
    • Protecting group hydrolyzed under mild aqueous acid or base.
    • Batch purification with controlled solvent recovery for food compliance.
    • Traceability documentation provided as part of flavor batch release.

    Final product types

    • Complex aroma esters for high-end fragrances
    • Proprietary flavor precursors for food and beverage applications
    • Natural-identical fruit acid bases
    • Intermediates for functional aroma chemical development
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    Certification & Compliance
    More Introduction

    Meet 3-Tert-Butoxy-3-Oxopropanoic Acid: Refined Synthesis, Real-World Impact

    Innovation Through Chemistry: Our Approach to 3-Tert-Butoxy-3-Oxopropanoic Acid

    In years of developing specialty chemicals, we have learned that excellence begins long before a finished product leaves the reactor. Our journey with 3-Tert-Butoxy-3-Oxopropanoic Acid (CAS 1836-60-0) started in response to requests from partners looking for a reliable intermediate that meets the dual demands of purity and consistency, especially in pharmaceutical and fine chemical applications. Unlike off-the-shelf options, our version emerges from process controls shaped by lab experience, pilot runs, and the daily realities of continuous plant operation.

    Our Specifications and Model at a Glance

    We produce 3-Tert-Butoxy-3-Oxopropanoic Acid in batch and continuous lines, both optimized for scale and repeatability. Most users seek a minimum assay above 98%, but through process optimization and periodical in-house GC and HPLC analysis, we've achieved specifications up to 99% purity. Each drum ships with full analytical spectra, including detailed NMR and MS, so you always see exactly what you are getting—not just a number on a data sheet.

    Moisture matters, especially when this acid serves as a building block for sensitive APIs or active materials. By maintaining water content well below 0.5%—checked on every lot—we help formulators avoid costly problems later in downstream reactions. Our teams analyze every batch for residual tert-butanol and trace inorganic salts, issues that don't make headlines but can disrupt catalytic steps and esterifications. Too often in the market, "acceptable" actually means "tolerable"; we've always aimed higher so clients spend less time with reprocessing or spot troubleshooting.

    Underlying Chemistry: What Makes It Work

    3-Tert-Butoxy-3-Oxopropanoic Acid is not just another intermediate or reagent, as some catalogs might suggest. Its tert-butoxy group shields the oxo functionality, introducing both stability and selectivity in synthesis. Unlike simple oxopropanoic acids, the tert-butoxy substitution creates controlled reactivity that helps chemists avoid side reactions. In practice, we see its most critical value between steps, acting as a protected keto acid which later deprotects cleanly under mild conditions. This feature earns it a place in the synthesis of molecules where uncontrolled hydrolysis or reduction threatens project timelines.

    In our own facility, we originally developed this compound for manufacturers who struggled with inconsistent lots, instability, and high loss rates with regular 3-oxopropanoic acid. The difference seemed subtle—the presence of the tert-butoxy group—but in actual plant use, it meant less time tuning reaction parameters and more reliable scale-up results. By focusing on the real-world chemistry that end-users face, our product has evolved beyond textbook definitions to embody practical value in a variety of complex syntheses.

    Usage Across Applications: From Laboratory to Plant Floor

    We supply 3-Tert-Butoxy-3-Oxopropanoic Acid mainly to pharmaceutical R&D and specialty chemical plants. Most often, it acts as a flexible building block in multi-step synthesis where a protected keto acid transforms in later stages. One pharmaceutical client applies it in the β-keto acid homologation stages, where the tert-butoxy protection allows site-specific functionalization. By switching from conventional oxopropanoic variants, they eliminated ongoing issues with side product formation—a result that made their process both cleaner and more reproducible.

    Custom synthesis firms frequently feedback to us that our version's purity and stability simplify their purification steps. In forming β-keto esters and their derivatives, many operations benefit from using a tert-butoxy protecting group that comes off gently, with less need for aggressive reagents or harsh temperature profiles. Our rigorous approach to low residual solvents also minimizes problems during solvent exchange or crystallization—issues frequently underappreciated until they compromise an entire pilot batch.

    In similar specialty applications, we see it playing roles in agrochemical intermediates and fine fragrances, each demanding tailored reactivity and low impurity profiles. Companies using it in small-molecule OLED materials look for low moisture and freedom from unwanted byproducts—criteria that standard grades rarely satisfy. Here, attention to detail during purification and storage pays off as longer shelf lives and less variability between batches.

    What Sets Us Apart from Commodity Suppliers

    The specialty chemicals sector fills with suppliers ready to offer similar molecules, but few carry deep understanding of performance nuances. Many sources derive their product via outsourced toll manufacturers, where oversight, accountability, and process controls often waver. We manage production in our own facilities, setting tight tolerances for every input and process step. Our approach eliminates cross-contamination, subtle isomeric impurities, and unpredictable moisture pickup in transit or storage.

    Rather than rely solely on external standards, our QC staff develop and maintain reference libraries for NMR, MS, IR, and GC analyses based on actual plant metrics. If a customer notes an unusual characteristic or color, technical support traces the issue not to theoretical documentation—but to operator logs or batch-specific analytical signatures. We do not warehouse intermediates indefinitely, making up orders only for active partners to avoid long-term storage artifacts sometimes seen in mass distribution models.

    In markets where reclaiming off-grade material is common, we clearly separate production runs, manage lot integrity digitally, and, where needed, offer full origin trails down to raw material receipt. This transparency helps customers satisfy regulatory and IP audits while keeping process troubleshooting straightforward. Compared to anonymous drums from bulk traders or middlemen, our model supports easier validation and real-world process improvement.

    Technical Insights from the Plant: Lessons Learned

    Producing high-quality 3-Tert-Butoxy-3-Oxopropanoic Acid brings a set of technical lessons only learned after many cycles of bench and pilot optimization. Early on, we encountered routine yield drags linked to minor side reactions with exposed carboxylic groups. The addition of the tert-butoxy protection significantly lowered byproduct formation by limiting nucleophilic attack and minimizing unwanted self-aldolization, especially under mild base conditions. Through continuous refinement, we've worked out process steps that hold loss rates below 2%.

    Storage and handling taught crucial points, too. This acid’s sensitivity to prolonged moisture exposure becomes pronounced above 30°C, leading to gradual hydrolysis and product color changes. Anhydrous techniques during transfer and nitrogen blanketing have become standard practice, not academic best practice, for our team. Lots that showed slight yellowness in drum—despite passing purity specs—prompted us to adjust filtration and drying to keep color within customer-acceptable limits.

    Safety demands respect in every part of batch operations. At scale, the exothermicity during tert-butyl esterification can trigger runaway scenarios if not kept under controlled feed and agitation. We designed reactor loading and quench sequences to suppress these risks without degrading key functional groups. Over time, these small but critical fixes helped us reach steady yields and low impurity profiles in every lot.

    Why Purity and Traceability Matter More Than Ever

    With rising regulatory standards in every jurisdiction, traceability and impurity profiling have moved from nice-to-have to essential. In the past, trace tert-butanol or methyl tert-butyl ether sometimes slipped through tolerance windows in outsourced products. When small molecule companies reported scale-up failures or unexpected side products, impurity carryover stood out as the main cause.

    To address this, we invest in real-time analytics. Each batch runs through headspace GC for volatile residues and liquid chromatography for minor isomers. We spend as much time tracking process water origins as we do monitoring reaction endpoints. Committed to support full audit trails, our team logs every reagent lot, operator intervention, and QC checkpoint. So, anyone assembling a regulatory dossier or troubleshooting a pilot run always has transparent, actionable records—not just printouts from a compliance lab.

    Tighter traceability supports better process troubleshooting. We regularly run side-by-side trials with clients who compare several lots from the global market. Outcomes often reveal our tighter specs translate to less rework, fewer reprocessing cycles, and better downstream yields. Instead of sending off complaints about unstable lots, customers trust the stability and clarity built into every order.

    Environmental and Waste Considerations: Beyond Regulatory Basics

    Our sustainability approach evolved through feedback from both regulators and clients pursuing greener chemistry mandates. By tuning upstream reactor parameters, we minimize byproduct and solvent waste. Where traditional synthesis routes tend to generate larger aqueous or organic residue streams, our operations redirect or reclaim side streams for secondary value, reducing environmental loading outside of pure compliance checklists.

    We opt for solvent and water recovery systems that return materials back into production—helping limit total resource draw. Process controls include real-time emissions monitoring, not just end-of-pipe sampling. Resulting reductions in total chemical oxygen demand, solvent release, and water usage benefit plant neighbors and clients conscious of their own scope 3 contributions. From waste labeling down to logbook entries, eco-compliance stays integral—not an afterthought—at every step.

    Troubleshooting and Solutions from the Field

    Nearly every customer faces a different challenge with intermediates. To help, our technical staff goes beyond batch-level QC to offer insights on reactivity and compatibility with specialty reagents, solvents, or catalysts in use. For example, when a partner’s pilot plant experienced unanticipated gelation during scale-up of a beta-keto acid formation, detailed analysis of their process and a joint review of their feedstock sources pinpointed a trace contaminant not visible in standard impurity checks. Our plant’s experience with similar runs helped us recommend process water pre-treatment and a measured pH adjustment—a practical fix based on hands-on results versus textbook troubleshooting.

    A common pitfall involves unexpected phase separation during workup. Experience taught us that minor solvent and temperature swings can lead to emulsion formation, especially if drum storage shifts above 25°C for extended periods. Our guidance covers optimal solvent choices, addition sequences, and holding times to mitigate these occurrences, based on scenarios observed in our own facility.

    Comparing with Other Building Blocks: Why 3-Tert-Butoxy-3-Oxopropanoic Acid Stands Apart

    Common alternatives in synthesis workflows, such as 3-oxopropanoic acid and simple beta-keto acids, bring exposure to instability in open containers and difficulties controlling reaction outcomes. We routinely hear stories about spontaneous hydrolysis, unpredictable polymerization, or simply poor selectivity in key transformations when conventional options are used. The tert-butoxy group on our product does more than provide protection—it fundamentally redefines selectivity and stability, leading to sharper yields and fewer purification challenges downstream.

    In direct A/B trials, labs switching from non-protected compounds to 3-Tert-Butoxy-3-Oxopropanoic Acid see marked improvements. Not only does product isolation become more straightforward, but the resulting end products show higher chemical purity, directly traceable to lower contamination risk during synthesis. Formulators who switch rarely return to previous versions unless forced by rare substrate compatibility issues.

    Unlike bulk commodity intermediates, our controlled synthesis and refined purification prevent the problematic isomer formation and cross-contamination commonly seen in large-scale, multi-product facilities. Rework rates fall, process windows widen, and project management finds fewer unwelcome surprises during scale-up—benefits that trace directly back to careful process engineering and consistent execution at every link in production.

    Real Stories: Customer Impact in Practice

    We see outcomes best through the eyes of users. One pharmaceutical team previously reported batch-to-batch color changes and drifts in melting point using a generic, third-party product—problems that became glaring during scale-up. Our shipments, documented and closely monitored, delivered not just improved appearance but fewer failures at final API synthesis, saving weeks on their annual development timelines.

    Another company, deep in the specialty coatings industry, faced sluggish conversion and multiple purification passes with standard beta-keto acids. After evaluating our product over a full production cycle, they reduced post-synthetic filtration and eliminated a problematic impurity that had previously gone undetected. In cost and time, the switch repaid itself before the quarter ended, but more importantly, it opened new application work by freeing up chemist bandwidth for innovation.

    Supply Chain Reliability: From Planning through Delivery

    We found long ago that reliability down the chain matters as much as chemistry itself. As the actual manufacturer, we control raw material vetting, intermediate tracking, and final packaging internally. Each lot leaves our site only after multi-step approval—materials move directly from clean drums to climate-controlled logistics, with no opportunity for reworking, dilution, or unauthorized storage that can occur with bulk traders.

    Every shipment comes with full regulatory and transit documentation, clarity on date of production, and ID codes that link laboratory checkpoints to truck or container. Our partners avoid the headaches of receiving “re-blended” stocks or ambiguous origin lots that commonly surface in international trade, further supporting smooth compliance and process validation during audits.

    Insight and the Way Forward

    In chemical manufacturing, experience counts for more than scale. 3-Tert-Butoxy-3-Oxopropanoic Acid shows how detail and process discipline add value where high-volume approaches cannot. Our continued investment in analytical quality, in-process controls, plant safety, and batch-to-batch documentation comes directly from listening to the people who build real-world products every day.

    Each year, new regulatory challenges or stricter market expectations raise the bar. Our plant teams and technical support never stop gathering data, improving process windows, and adapting protocols—not only to meet specs, but to reduce waste, support safety, and simplify every step for the chemists and engineers who depend on a reliable partner.

    Anyone evaluating 3-Tert-Butoxy-3-Oxopropanoic Acid for their processes deserves more than a standard catalog entry or generic technical blurb. We encourage direct discussion with our plant and application chemists to share your own requirements, exchange practical insights, and move beyond “acceptable” to “advantageous”—because every detail, from raw material to final product, shapes the success of your work.