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Tert-Butyl Propiolate

    • Product Name Tert-Butyl Propiolate
    • Alias TBP
    • Einecs 'EINECS 249-786-2'
    • 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

    460862

    Chemical Name Tert-Butyl Propiolate
    Cas Number 7202-72-4
    Molecular Formula C7H10O2
    Molecular Weight 126.15 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 121-123 °C (at 760 mmHg)
    Density 0.911 g/mL at 25 °C
    Flash Point 23 °C (closed cup)
    Refractive Index 1.419 at 20 °C
    Solubility Slightly soluble in water; soluble in organic solvents
    Smiles CC(C)(C)OC#CC
    Melting Point -22 °C

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

    Packing & Storage
    Packing Tert-Butyl Propiolate is packaged in a 100 mL amber glass bottle with a secure cap and appropriate hazard labeling.
    Shipping Tert-Butyl Propiolate should be shipped as a hazardous chemical, in tightly sealed containers under cool, dry conditions and protected from light, heat, and sources of ignition. Ensure compliance with relevant regulatory standards (e.g., DOT, IATA). Appropriate hazard labeling and documentation are required during transportation to guarantee safe handling and delivery.
    Storage Tert-Butyl Propiolate should be stored in a cool, dry, and well-ventilated area, away from sources of ignition, heat, and direct sunlight. Keep the container tightly closed and stored in a chemical-resistant, labeled container. Avoid exposure to moisture, acids, oxidizing agents, and bases. Store at recommended temperatures, and ensure appropriate precautions for handling flammable and potentially reactive substances.
    Application of Tert-Butyl Propiolate

    Applications of Tert-Butyl Propiolate in Industrial Manufacturing

    As a specialized manufacturer of tert-butyl propiolate, we supply this alkyne ester to integrated supply chains supporting regulated, process-intensive industries. Below we outline the major industrial applications where our material delivers process reliability and meets stringent downstream specification requirements.

    1. Active Pharmaceutical Ingredient (API) Synthesis – Alkyne Building Block

    Pharmaceutical production plants employ tert-butyl propiolate as a reactive intermediate for the construction of alkyne-substituted scaffolds during complex API assembly, especially within click chemistry and coupling reaction modules. The ester’s high purity ensures minimized side reactions and consistent conversion rates, supporting route scouting, scale-up, and cGMP batch manufacturing for both early-stage drug candidates and commercial drug substances.

    Industry compliance standards

    • USP (United States Pharmacopeia) compliance for impurities and residual solvents
    • ICH Q7 cGMP for active pharmaceutical production
    • EMA guidelines for starting materials
    • FDA 21 CFR Parts 210/211 for finished pharmaceuticals

    Typical usage ratio

    • Reactant ratio: 1.0–1.2 eq per coupling substrate depending on route optimization and batch scale; excess may decrease in pilot plant according to reaction completeness and purification efficiency

    Downstream process integration

    • Feeds directly into Sonogashira, Huisgen, or nucleophilic conjugate addition steps in intermediate synthesis modules; material prepared using jacketed reactors under inert atmosphere, followed by in-line monitoring for byproduct minimization

    Final product types

    • Small molecule APIs for antiviral, oncology, or CNS therapy classes
    • Intermediates used in the assembly of peptide-drug conjugates (PDCs)

    2. Organic Electronic Materials – Conjugated Polymer Monomer

    Specialty electronics manufacturers use tert-butyl propiolate as a functional monomer in the synthesis of conjugated polymers designed for optoelectronic devices. The alkyne group enables precise placement within the polymer backbone, tuning electronic bandgap and solubility. Material undergoes strict QC to ensure trace metal and moisture levels align with photonic-grade requirements.

    Industry compliance standards

    • IEC 62321 for hazardous substances content analysis
    • RoHS (Restriction of Hazardous Substances) Directive for heavy metal thresholds
    • ISO 9001 QMS in production of electronic materials
    • Customer-specific proprietary purity and reactivity specifications

    Typical usage ratio

    • Monomer feed: 2–15 mol% into a total monomer mix, depending on the target polymer structure and required electrical performance in functional device layers

    Downstream process integration

    • Dosed into solution polymerization setups or microflow reactors; serves as a co-monomer for alkynylation, post-polymerization functionalization, or crosslinking steps prior to solvent casting or spin-coating onto device substrates

    Final product types

    • Organic field-effect transistors (OFETs)
    • Organic photovoltaic (OPV) cells
    • OLED (Organic Light Emitting Diode) precursor films

    3. Agroscience Intermediates – Herbicide and Pesticide Precursor Formulations

    Crop protection chemical manufacturers adopt tert-butyl propiolate as a strategic intermediate in the construction of aryl-alkynyl and heterocyclic agrochemical scaffolds. The controlled ester reactivity streamlines late-stage modification and enables downstream process flexibility, which is essential for registration batches and technical concentrate production.

    Industry compliance standards

    • FAO (Food and Agriculture Organization) pesticide specifications
    • REACH (EC) No. 1907/2006 registration for industrial chemicals
    • ISO 17025 for testing and laboratory analysis
    • Globally Harmonized System (GHS) for hazard communication

    Typical usage ratio

    • Intermediate addition: 0.9–1.1 eq, with variations driven by target molecule substitution patterns and downstream purification requirements

    Downstream process integration

    • Charged into batch reactors during condensation or cyclization reactions for technical material production; subsequent workup includes flash chromatography or crystallization according to purity targets set by agrochemical specifications

    Final product types

    • Precursor intermediates for selective herbicides (e.g., aryl-alkyne herbicidal scaffolds)
    • Technical-grade active pesticide ingredients for emulsion concentrate and wettable powder formulations

    4. Flavors and Fragrances Synthesis – Ester Functional Group Modification

    Our tert-butyl propiolate supports specialty aroma chemical houses in esterification and carbonylation routes, creating alkynyl-containing esters with unique volatility or olfactory signatures. Its defined boiling point and reactivity profile enhance selectivity in proprietary flavor and fragrance intermediate syntheses, manufactured for food and fine fragrance blending applications.

    Industry compliance standards

    • IFRA (International Fragrance Association) safe use standards
    • EU Regulation (EC) No 1334/2008 on flavorings
    • FEMA GRAS stipulations where applicable for aroma precursors
    • ISO 9001 process control for food and cosmetic ingredient manufacturing

    Typical usage ratio

    • Intermediate conversion: 5–25 wt% based on batch esterification or aroma profile optimization; actual percentage calibrated per chromatographic yield and target note intensity

    Downstream process integration

    • Introduced at the key esterification stage within pressurized glass-lined reactors, followed by molecular distillation or vacuum stripping to isolate target aromatic intermediates

    Final product types

    • Specialty alkyne ester intermediates for further transformation
    • Targeted aroma building blocks deployed in complex flavor syrups or fine fragrance masterbatches

    5. Fine Chemical Synthesis – Contract Manufacturing of Research Intermediates

    Custom synthesis and contract manufacturing organizations (CMOs) employ tert-butyl propiolate in the assembly of fine chemicals, advanced intermediates, and reference compounds to support material science, medicinal chemistry, and academic sectors. Its consistent lot quality facilitates SAR (structure–activity relationship) studies and custom aldehyde/alkyne chemistry requests from research-driven clients.

    Industry compliance standards

    • ISO 9001 for supply chain consistency
    • DEA precursor chemical management (if required for controlled substance synthesis)
    • Customer audit-based specifications and release QC
    • Applicable local transport and handling regulations (e.g., IMDG, IATA)

    Typical usage ratio

    • Dose levels: 0.5–2.0 equivalents per targeted synthesis run; determined by stoichiometry and analytical conversion curves within each campaign

    Downstream process integration

    • Metered into multi-step synthetic flows, such as stepwise alkynylations, cycloaddition cascades, and late-stage derivatizations, primarily within kilo-lab or pilot plant glass reactor arrays

    Final product types

    • Novel research intermediates
    • Reference standards for analytical method validation
    • Custom alkyne-containing scaffolds for drug discovery
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    Certification & Compliance
    More Introduction

    Tert-Butyl Propiolate: A Closer Look from the Manufacturer’s Side

    Understanding Tert-Butyl Propiolate Through Real-World Production

    Every day in our plant, the demands of modern synthesis shape our approach to production. Tert-Butyl Propiolate stands out as a powerful alkyne ester, prized for both its defined reactivity and its clean handling. Our methods fine-tune the synthesis to minimize potential by-products and water content, which makes the product especially valuable for those who need high-purity intermediates in the research or industrial arena. Over years of continuous batches, we have refined our processes to put control and consistency at the forefront. This isn’t just technical precision; it’s the result of hands-on problem solving and a close integration with the needs we hear from the development labs that knock at our door.

    From Synthesis Bench to Bulk Orders: Real Solutions for Chemists

    Scientists running coupling reactions or searching for reliable sources of functionalized alkynes keep returning to tert-butyl propiolate. It offers a distinctive profile—there’s that tert-butyl group, providing steric bulk, but without the messy volatility and handling hassle of smaller alkyl esters. We continuously monitor how distillation settings, reagent ratios, and material flow affect the purity, especially targeting moisture, which can ruin run after run in sensitive coupling chemistry. Working at scale, we have had to build-in layers of in-process testing. Typical NMR holds up its end, but we also put gas chromatography to work to watch for residual solvents, with regular checks every day the reactor moves.

    Customers who have put other alkyl propiolates through their paces often comment on the improved stability with tert-butyl as the ester group. This translates to longer shelf life, but also less risk of unwanted side reactions during critical steps in ligand design, peptide modification, or late-stage functionalization. Experience tells you one failed run in a kilo-scale or custom synthesis can wipe out weeks of planning and budget. So the pressure is real, and we meet it by tracking trace acids and making sure the pipeline from raw material to drum never cuts corners.

    Product Model and Chemistry at Work

    What we produce carries the molecular formula C7H10O2, and on the workbench, you’ll find a colorless to pale yellow clear liquid, distinctly less irritating than many other alkyl propiolates. Typical specs target a purity of over 98% by GC but, over years of refining, our regular output lands closer to 99%. Every lot gets its certificate, and our internal records keep the trail open—if a customer flags an anomaly, we pull the batch and trace it back, line by line, back to the raw propiolic acid.

    Unlike methyl or ethyl propiolate, the tert-butyl group brings benefits in steric steering and reduced volatility. In practical terms, this means less evaporation loss during storage and transfer. The physical presence of that bulkier tert-butyl group often leads clients to report improved selectivity in catalytic alkynylations and better control in regulated releases during pharmaceutical intermediate synthesis. With repeated-scale users in bioconjugate chemistry vouching for its stability, we pay special attention to batch repeatability. If there’s a shift in color, a new odor, an unexpected reading at any point, we tag the sample and run the checks again.

    Day-to-Day Handling Experience

    Propiolates in general come with their own quirks. Volatility can be troublesome, and the sharper, more pungent aromas of the lighter alkyl esters linger in the shop air for hours. Tert-butyl propiolate’s lower vapor pressure reduces this, and our team has cut back on fume hood complaints through a focus on material purity, closed-transfer systems, and by verifying drum seals as soon as drums leave the purification line.

    Contact with skin remains a risk, like all acetylenic esters, so our operators gear up appropriately and keep procedures close to the chest. We stress the importance of gloves and properly vented goggles in daily meetings, which helps foster a culture where small mistakes get spotted before they turn into production disruptions. Boiling point checks, introduction of dry nitrogen flushes for transfer, and digital sensors to spot leaks are not just checklist items—they’re borne of events from the past, where small missteps once led to hours of cleanup and, sometimes, painful learning curves.

    Applications That Benefit from Tert-Butyl Propiolate

    The edge tert-butyl propiolate offers comes into play most in organic synthesis where selectivity and functional group control drive project outcomes. Peptide chemists gravitate toward this reagent when they need sterically hindered alkynes for Sonogashira or Cadiot-Chodkiewicz couplings. The tert-butyl ester survives under basic conditions that would saponify smaller esters, and cleaves more gently when acidic conditions get introduced later. For label attachment or click chemistry with azides, the clean reactivity and minimal byproduct profile make post-reaction purification a little less tedious—a win for any bench chemist faced with large libraries or scaled reactions.

    From our vantage point, the feedback we get from customers is clear—pharma R&D centers use tert-butyl propiolate to attach payloads, medchem startups lean on it to build more complex heterocycles, and academic teams eye its stability over time for reagent stock libraries. In electronic materials, the lability and reactivity of the terminal alkyne means the difference between smooth coating processes and failed adhesion. Small missteps at our end, a few ppm of water or trace acids, can mean dollar losses downstream. Hearing directly from users who chase spectral clarity, we keep refining distillation and storage tanks to hit near-anhydrous marks, even for customers who might not specify it in initial orders.

    What Sets Our Product Apart: Hard Lessons Learned

    Years in this industry have shown that theory can only take you so far. Fielding requests for odd batch sizes, providing samples with accelerated stability data upon request, and walking labs through unexpected yellowing or odor changes—all these tasks have come up more often than new textbooks get rewritten. We noticed that customers switching from methyl or ethyl propiaolate reported issues with over-reactivity, instability, and regulator headaches due to stricter hazard controls. Tert-butyl propiolate’s structure helps many avoid these regulatory bottlenecks, and while we don’t take shortcuts, we have devised improved sealing and packing methods to reduce in-transit losses, critical for clients in more humid regions.

    No batch ships out without verification by two chemists who have actually run the chemistry. Over time, we’ve caught and fixed everything from minor hydrazine contamination to subtle residual acid, learning that what doesn’t get caught today turns into headaches for someone else weeks later. Not all vendors make their own material—those who buy up drums and resell often can’t diagnose downstream issues or recommend adjustments. We have lost business in the past to cheaper product, and then seen those groups return down the road, looking for more consistent lots after failed tests or performance drop-offs. That cycle reinforces the value of direct, transparent manufacturing.

    Responsible Manufacturing: From Raw Ingredient to Drum

    Proper synthesis of tert-butyl propiolate starts with high-quality propiolic acid and tert-butanol. We monitor incoming supplies batch by batch, refusing raw material that doesn’t hit our minimum GC and Karl Fischer specs. During esterification, temperature and pressure controls keep exotherms under check, and phase separations are done at slightly above ambient temperature to avoid emulsion formation—a trick learned from a particularly messy campaign several years back. We use proprietary catalysts that we’ve optimized so that they leave essentially no trace in the final product, after distillation and a controlled drying process.

    Today, our main reactors support several hundred kilogram lots per month, but we reserve smaller glassware for development and troubleshooting, something that helps when a client requests an unusual spec or a different impurity profile. It’s not unusual to spend an afternoon comparing trace impurities or setting up tests for different drying agents, especially when a regular customer calls with new needs. We appreciate direct conversations, since they lead to tweaks in distillation or storage protocols that ripple out through future production runs.

    Comparing Tert-Butyl Propiolate to Other Alkyl Esters

    Years ago, we used to see more demand for methyl and ethyl derivatives. Some customers still ask for them, but more scientists have migrated to tert-butyl for practical reasons. The smaller esters evaporate quickly and come with sharper risk for inhalation and storage loss. They undergo hydrolysis more easily, which shows up in failed experiments and higher costs from abandoned material. Tert-butyl’s steric bulk gives the molecule increased hydrolytic stability and makes it less susceptible to environmental drift, an advantage for those storing stock solutions or running overnight setups. Several contract development teams told us outright that they swapped from methyl or ethyl simply to reduce losses in storage and transport.

    Looking back on ten years of scale-up, the choice of tert-butyl also reduces hazards. We have seen schools and small-scale operations report much easier handling, with fewer emergency stops and noxious fumes in closed labs. Regulatory paperwork shifts, too: some jurisdictions flag methyl and ethyl esters for more intensive monitoring. Tert-butyl breezes through more quickly, and we don’t see the same frequency of extra local inspections or extra hazard surcharges.

    Improving Reliability and Supply Chain Integrity

    In real terms, direct manufacturing means more predictable timelines, fewer delays, and a lower risk of supply-chain interruptions. We control drum packaging right after purification, using an established protocol that prevents cross-contamination. Each drum is labeled with a batch tracking code that links back to production logs, including the name of each operator. If temperature spikes during storage occur, or if there’s a reported deviation in viscosity, we run fast checks and engage our quality assurance team before product leaves the warehouse.

    Clients reach out looking for supply partnership, partly due to missed deliveries and inconsistencies they’ve faced with third-party brokers. By keeping every step under one roof, we adapt faster to order changes, from single liters up to pallet loads, all drawn from the same current production campaign. Lab teams frequently request samples for pilot runs, and since our team manages both synthesis and logistics, turnaround becomes a matter of days, not weeks. The best feedback comes months later—a steady stream of repeat orders and stories from R&D teams about reduced process deviations and more consistent reaction yields.

    Supporting Users Beyond the Product

    We do more than ship drums off a dock. Our team fields calls from bench chemists troubleshooting stalled coupling reactions, from R&D managers dealing with fading performance, and from procurement agents navigating regulatory murk. Whether the problem links to moisture content, unusual odor, inconsistent GC profile, or simply a new application, our chemists step in with detail, referencing exact records and proposing real-time fixes.

    A strong knowledge base doesn’t arise from manuals, but from time at the bench and on the line. If a product sample shifts in quality, someone here reviews analytical runs, retraces the batch through process logs, and makes changes before the next run gets scheduled. This feedback loop, built into how we function, prevents drift in specifications and reinforces trust from our long-term partners.

    Shipping conditions matter just as much as synthesis. Climate-challenged regions, fluctuating cold and heat, or long transit times can impact product stability. We use temperature-controlled shipping, humidity-blocking seals, and short routes for sensitive batches. No release slips through without verifying that the outer packaging can withstand rough handling. These protocols evolved from earlier stints of breakages and returns, teaching us to get packaging right from the start.

    Looking Ahead: Where Development is Taking Us

    Demand for tert-butyl propiolate continues to grow in fields from advanced pharmaceuticals to materials science. We track the evolving patterns both through direct communication and by staying close to technical literature and market shifts. Clients have started requesting higher batch purity, or specific impurity fingerprinting, especially in regulatory-driven segments. We see a trend towards more sustainable manufacturing, too, as groups examine carbon footprints and process efficiency. Our operations team has already implemented solvent recycling, a tighter energy balance, and improved waste minimization compared to a decade ago. This not only cuts our costs but fits with growing expectations from both regulators and our clientele.

    As regulations tighten, especially surrounding hazardous intermediates and emissions, we have adopted electronic records, automated monitoring, and real-time compliance tracking. These tools keep us responsive, letting us adapt on the fly if tank readings shift or chemical drift gets caught mid-batch. Our chemists and operators keep an eye on market feedback, both for trends in application and for the broader implications on product consistency.

    Summary of Tert-Butyl Propiolate’s Practical Value

    Tert-butyl propiolate brings together reactivity, handling safety, and batch-to-batch consistency. Our methods reflect years of real-world feedback and challenges unique to this ester, from humidity swings to regulatory curveballs. The network of chemists, operators, and advisors all own a piece of the process, motivated by a shared goal: smoother reactions, reliable supply, and trust built over repeated orders.