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Tert-Butyl Cyanoacetate

    • Product Name Tert-Butyl Cyanoacetate
    • Alias Tert-butyl 2-cyanoacetate
    • Einecs 212-688-4
    • 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
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    Specifications

    HS Code

    672999

    Chemicalname Tert-Butyl Cyanoacetate
    Casnumber 5074-05-7
    Molecularformula C7H11NO2
    Molecularweight 141.17 g/mol
    Appearance Colorless to pale yellow liquid
    Boilingpoint 93-94°C at 10 mmHg
    Meltingpoint -20°C
    Density 1.011 g/cm³ at 25°C
    Solubility Slightly soluble in water; soluble in organic solvents
    Flashpoint 100°C
    Refractiveindex 1.423-1.426 at 20°C
    Purity Typically ≥98%
    Smiles CC(C)(C)OC(=O)CC#N
    Storagetemperature Store at 2-8°C

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

    Packing & Storage
    Packing The 500g Tert-Butyl Cyanoacetate is packaged in a sealed amber glass bottle with tamper-evident cap and safety labeling.
    Shipping Tert-Butyl Cyanoacetate should be shipped in tightly sealed containers, away from moisture, heat, and incompatible materials. Packaging must comply with local regulations and chemical shipping standards. Label containers appropriately as a chemical substance. Store and transport in a cool, dry place with proper documentation to ensure safe handling and delivery.
    Storage Tert-Butyl Cyanoacetate should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from sources of ignition, heat, and direct sunlight. Avoid storing with strong oxidizers, acids, or bases. Use secondary containment to prevent spills and label the container clearly. Store at room temperature, and protect from moisture and incompatible substances.
    Application of Tert-Butyl Cyanoacetate

    Applications of Tert-Butyl Cyanoacetate in Industrial Manufacturing

    As a trusted producer of Tert-Butyl Cyanoacetate, we focus on supplying this specialty intermediate to a select group of downstream sectors where it delivers proven performance and direct functional benefits in advanced chemical synthesis and production workflows. Below, we detail the primary industrial application contexts, clearly outlining the compound’s unique role in each targeted process.

    1. Pharmaceutical Active Ingredient Synthesis

    Pharmaceutical manufacturers use Tert-Butyl Cyanoacetate as a key building block in the preparation of pyrimidine and purine derivatives, which serve as core structures in several clinically important active pharmaceutical ingredients (APIs). In multi-step syntheses, it enables efficient Michael addition and Knoevenagel condensation steps, frequently under mild conditions, facilitating the generation of intermediates for antiviral, anticancer, and antihypertensive drugs. By supporting streamlined synthetic routes, it helps reduce process impurities and optimize batch yields, aligning with stringent regulatory standards for drug substance production.

    Industry compliance standards

    • Current Good Manufacturing Practice (cGMP) as per ICH Q7 and US FDA 21 CFR 210/211
    • European Pharmacopoeia (Ph. Eur.), United States Pharmacopeia (USP) compliance as applicable to intermediates
    • ICH Q3A/B for impurity profiling where intermediates carry forward
    • REACH Registration for safe use in the EU

    Typical usage ratio

    • Between 0.5 to 1.2 molar equivalents, dependent on the stoichiometry of target synthetic steps and impurity risk assessment
    • Exact quantity adjusted based on scale-up trial batches and process optimization results

    Downstream process integration

    • Entry as a core reactant in the initial or intermediate stages of small-molecule drug synthesis
    • Integrated via solution-phase addition during pre-purification steps prior to downstream isolation and crystallization of intermediates
    • Employed directly in continuous flow or batch reactor systems

    Final product types

    • Antiviral drug intermediates
    • Cytostatic (anticancer) API backbones
    • Cardiovascular API scaffolds
    • Pharmacologically active small molecules containing pyrimidine or purine motifs

    2. Agrochemical Active Ingredient Manufacturing

    Producers of crop protection agents leverage Tert-Butyl Cyanoacetate to assemble novel heterocyclic rings during the synthesis of herbicides, fungicides, and insecticides. The material’s functionality allows direct integration into key intermediates for active compounds, facilitating the rapid synthesis of structures with high bioactivity and enabling reliable scale-up for plant operation. Its stability under various reaction conditions also reduces unit operation complexity and supports delivery of high-purity pesticide active substance products.

    Industry compliance standards

    • OECD Good Laboratory Practice (GLP) for synthesis research and pilot trials
    • CropLife International guidelines for active substance registration
    • REACH Regulation in Europe for raw material safety
    • China GB2763 Maximum Residue Limits compliance for content controls in APIs carried forward

    Typical usage ratio

    • 0.8–1.1 molar equivalents as dictated by specific reaction pathways and target cyclization efficiency
    • Adjustments based on toxicity evaluation and process yield optimization

    Downstream process integration

    • Charged into reaction vessels during heterocycle formation and condensation steps
    • Incorporated post-halogenation or amidation for synthetic flexibility
    • Directly involved in batch and semi-continuous operations of multi-step synthesis

    Final product types

    • Pyrimidinone-based herbicide actives
    • Bio-active fungicide intermediate compounds
    • Benzothiazole and triazole insecticide intermediates
    • Final pesticide technical concentrates (TCs)

    3. Specialty Monomer for Advanced Polymer Materials

    Producers of advanced polymers deploy Tert-Butyl Cyanoacetate as a specialty monomer component in radical and anionic polymerization formulations. Its cyano and ester functionalities enable the introduction of controlled properties such as increased glass transition temperature, enhanced solubility, and specific adhesion traits in custom polymers. Formulators utilize it in synthesizing functional polyacrylates and copolymers for demanding engineering and electronics applications, ensuring reproducible polymer architectures and property retention at scale.

    Industry compliance standards

    • ISO 9001/14001 Quality and Environmental Management Systems
    • RoHS Directive (2011/65/EU) for electronics and electrical materials
    • UL 94 for flammability of plastics when used in electronic applications
    • REACH registration dossier for polymers under Regulation (EC) No 1907/2006

    Typical usage ratio

    • Between 0.1% and 10% by weight relative to total monomer content, selected according to target polymer architecture and property goal
    • Ratios determined via small-scale pilot compounding for balance of processability and end-use specification

    Downstream process integration

    • Co-monomer addition to bulk or solution polymerization reactors
    • Fed during pre-polymerization or as a chain modifier in step-growth polymer synthesis
    • Included in pre-mix blends or inline injection depending on reactor design

    Final product types

    • Functional polyacrylate resins
    • Adhesive and pressure-sensitive tape base polymers
    • Electronics encapsulation materials
    • Photopolymerizable formulations for 3D printing

    4. Fine Chemical Synthesis for Flavors and Fragrances

    Manufacturers in the flavors and fragrances field employ Tert-Butyl Cyanoacetate as a specific intermediate to introduce functionalized cyano or ester groups in fine aroma chemical syntheses. The material enables the controlled construction of high-value fragrance molecules, often leading to improved olfactory notes or greater stability in final perfume bases. Through careful process design, it supports high purity and batch-to-batch consistency, meeting supplier benchmarks within this tightly regulated value chain.

    Industry compliance standards

    • IFRA (International Fragrance Association) Standards for safe use in consumer scents
    • FEMA GRAS (Flavor and Extract Manufacturers Association’s Generally Recognized as Safe) for relevant food-grade intermediates
    • ISO 9235 for natural and synthetic aroma chemicals
    • Quality control per ISO 17025 accredited laboratory testing methods

    Typical usage ratio

    • Typically 0.5–2.0 molar equivalents, with precise dosage dictated by desired chain length and regulatory concentration limits in end-use markets
    • Pilot batch scaleups performed to finalize ratio for purity and olfactory outcome

    Downstream process integration

    • Applied at esterification or transesterification steps in multi-stage organic synthesis
    • Entry during lactone or nitrile moiety addition in specialty aroma-blend creation
    • Handled in closed-system reactors compliant with food and fragrance hygiene protocols

    Final product types

    • Fine aroma intermediates for perfumes
    • Fragrance aldehyde derivatives
    • Specialized flavor component bases
    • Complex fragrance oil blends
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    Certification & Compliance
    More Introduction

    Tert-Butyl Cyanoacetate: Understanding Its Role and Value in Advanced Chemical Synthesis

    A Closer Look at Tert-Butyl Cyanoacetate

    Tert-Butyl Cyanoacetate attracts careful attention among synthetic chemists for its balanced reactivity and consistent physical properties. In our experience as a chemical manufacturer, the product most often falls under the model designation of high-purity grade, specifically targeting downstream applications within pharmaceutical intermediates and specialty materials. Our years spent refining this compound’s process have shown us the value of standards—our typical specifications include a purity level of not less than 99%, with moisture content kept as low as possible to prevent hydrolysis and side reactions. The solid-state product demonstrates reliable behavior during storage and handling, avoiding the caking or absorption problems sometimes found in alternative cyanoacetates.

    Chemistry is more than moving molecules from one bottle to another; the detailed attention to raw material quality plays out downstream, whether during a scaled Grignard reaction or for a pilot batch of an agrochemical candidate. From our plant floor to your laboratory, tert-butyl cyanoacetate demonstrates itself through stability and performance under strict process conditions. Its molecular structure, featuring the tert-butyl group attached to the cyanoacetate core, helps control boiling point and solubility—properties that we consistently verify every batch.

    Key Applications Across Chemical Synthesis

    Customers rely on tert-butyl cyanoacetate for its unique role as a building block in constructing complex molecules. Most requests come from pharmaceutical R&D teams deriving substituted malonates or synthesizing heterocycles. The compound’s electron-withdrawing cyano group makes it a strong candidate for Knoevenagel condensations, Michael additions, and cyclization reactions. For example, certain active pharmaceutical ingredient (API) syntheses require tert-butyl cyanoacetate for controlled carbon-carbon bond formation, where traditional cyanoacetates show too much reactivity or produce problematic byproducts.

    We also see steady orders from agrochemical innovators who harness tert-butyl cyanoacetate as a step in making advanced herbicides and plant growth regulators. Because every batch needs to meet rigorous downstream purity and yield requirements, we run multiple checks throughout the aging and packaging process. The use of tert-butyl substituents, rather than methyl or ethyl, often drives improved process safety and separation during product isolation steps, enough for global partners to request this specific ester option over cheaper alternatives.

    Reliability Through Real-World Manufacturing Experience

    In our plant, life rarely follows the literature exactly. Lab-scale yields of tert-butyl cyanoacetate tend to fall short when batch sizes grow, so we have adapted multi-step controls over the years. Raw material purity for tert-butanol and cyanoacetic acid remains critical; even trace byproducts force us to run extra purification cycles. Because the esterification reaction releases water and side esters, we use continuous drying and in-process gas chromatography—gages we calibrate weekly—to maintain reaction selectivity. Workers prefer the handling characteristics of tert-butyl cyanoacetate: It stands up against atmospheric moisture better than ethyl or methyl variants and stores in polyethylene liners without breakdown, giving site managers peace of mind during summer heat or winter cold.

    Customers often compare our tert-butyl cyanoacetate directly with methyl or ethyl cyanoacetates. We bring factual, batch-tested insights: Tert-butyl variants show slower hydrolysis under alkaline conditions, which simplifies downstream isolation and improves material utilization. When solvent extraction is necessary, the lower volatility of the tert-butyl group reduces product loss through distillation compared to the methyl ester, while the higher steric hindrance decreases side reaction profiles—a tangible advantage when target compounds show low tolerance for impurities. Each of these characteristics comes not just from chemical intuition, but from decades of on-the-floor troubleshooting and direct conversations with our partners who report on pilot runs, full productions, and product registrations in major consumer regions.

    Meeting the Evolving Demands of End-Users

    Synergy between our plant engineers and customer R&D teams shapes the way we formulate and package tert-butyl cyanoacetate. For most clients, a crystalline powder offers the best balance of handling safety and dosing accuracy. We use lined drums or tamper-sealed fiber kegs, controlling not just what goes into each shipment, but the microenvironment that keeps it stable until it reaches its destination lab or warehouse. Many chemists express frustration when lower-quality esters develop off-colors, degrade by hydrolysis, or give inconsistent melting points. To address this, we continually test against the highest endpoints—UV spectrometry confirms identity, while Karl Fischer titration evaluates moisture.

    Feedback from both seasoned process chemists and junior operators reveals one common expectation: predictable reactivity. Tert-butyl cyanoacetate shows a narrower reactivity range than methyl and ethyl alternatives. During methylation or alkylation steps, the tert-butyl ester resists unwanted transesterification, saving both time and material in multi-step synthetic sequences. We have seen this in both custom synthesis and toll manufacturing projects—less time spent dealing with byproducts, easier column chromatography profiles, and more time spent on developing new active molecules. The stability of the tert-butyl group also reduces issues with odorous off-gassing and vapor losses, a practical consideration for manufacturing up to the metric-ton scale.

    Product Differentiation Through Practical Manufacturing Experience

    Many in the market list tert-butyl cyanoacetate alongside other cyanoacetate esters. Operators and chemists know the details set each apart. For large-scale runs, the product’s robust boiling point and resistance to decomposition allow for smoother solvent removal and longer practical shelf life. While ethyl and methyl versions sometimes require refrigerated transport or special spark-proof storage, tert-butyl cyanoacetate, thanks to its higher steric bulk and stability, rides out ambient warehouse conditions without dropping in quality.

    Our plant’s batch records mirror this difference. When the need arises for a non-hygroscopic, stable ester for use in sensitive stepwise syntheses—say, for chiral pharmaceutical development or high-purity agro-intermediates—tert-butyl cyanoacetate’s consistent particle size distribution and bulk density matter. Our packaging tanks and dispensing lines can move the material without bridging, making downstream weighing and charging smoother for our customers’ operators. Clients who have switched away from smaller alkyl esters during reaction optimization often tell us about increased batch reproducibility and lower downtime due to easier filtration and crystallization.

    Practical Considerations in GMP and Regulatory-Driven Environments

    Manufacturing for regulated markets means every material must satisfy both technical and compliance demands. We source pharmaceutical-grade input chemicals with traceable origins, proving both ethical sourcing and consistency of supply. Auditors and quality teams demand full documentation on each step, from esterification through final packaging. As a manufacturer, we have to take ownership of every deviation, batch note, and impurity investigation—processes that give customers confidence, but also offer us new data to refine future operations.

    Tert-butyl cyanoacetate especially benefits the pharmaceutical sector thanks to its low impurities and predictable reactivity profile. Every processing step, from reaction charging through purification and final drying, faces validation against international standards. Analytical chemists examine each lot through HPLC, GC, and detailed MS scans. Beyond meeting code, our team investigates every outlier, retraces conditions, and revises standard operating procedures. We encourage direct customer audits and provide detailed sample analysis, knowing that customer trust comes from every batch’s real-life performance, not marketing claims.

    Sustainability, Safety, and Chemical Stewardship

    We do not ignore our responsibility as a bulk chemical manufacturer—environmental and worker safety shape our processes at every level. Tert-butyl cyanoacetate production at scale generates less volatile organic compound emissions than methyl or ethyl counterparts due to its lower vapor pressure. Spill response and worker exposure monitoring also become less cumbersome. Trained operators use closed transfer systems and monitored reactors, preventing unnecessary exposure and supporting a safe workplace. Waste minimization and solvent recovery feed back into our process optimization, not just to cut operating costs, but because the people on our plant floor live and work side by side with our neighbors.

    Clients expect us to anticipate changing regulations. If new controls appear for related cyano compounds, our team proactively reviews raw material tracking, updates hazard communication, and improves packaging integrity. We regularly retrain staff and consult both in-house regulatory experts and outside consultants to ensure we handle, store, and ship tert-butyl cyanoacetate responsibly. Real-world feedback from logistics companies and customers returns into our safety procedures, sometimes driving us to upgrade equipment or offer additional sizing options. These daily choices—grounded in practical experience, not just compliance—define our approach to sustainability and chemical stewardship.

    Continuous Improvement Backed by Technical Dialogue

    As manufacturers, we measure our success by more than just tons sold; every useful feedback loop returns into product quality. Over the years, customer R&D inquiries have prompted us to develop new analytical routines, speed up impurity tracking, and refine material handling practices for tert-butyl cyanoacetate. Technical managers and production chemists rely on information that comes from day-to-day plant challenges—altered reaction conditions, changed raw material lots, or new purification protocols. Our staff maintain direct technical hotlines and support for customer trial batches, working to resolve process bottlenecks and flag potential downstream issues.

    We never treat tert-butyl cyanoacetate as a commodity. Customers approach us with real synthetic challenges—lowering byproducts in a new medicinal scaffold, scaling up aromatic substitutions, or troubleshooting solvent-loading in continuous reactors. The technical utility of the compound depends on repeatable physical properties and accountable product support from the manufacturer. In a world where regulatory pressures and performance goals grow every season, we link improvements directly to application feedback, not just internal lab findings.

    Looking Forward: Innovation, Collaboration, and Real Value

    The chemical landscape does not stand still. Market preferences shift as regulatory authorities adjust guidelines for cyano compounds, or as competitive pressures bring forth new synthetic routes. We commit to evolving our manufacturing strategy for tert-butyl cyanoacetate by investing in greener chemistries, energy-efficient process controls, and digital quality tracking. No single product defines a plant’s future, but consistently delivering value through quality, real technical support, and continuous open dialogue with customers earns ongoing trust.

    In our daily experience as hands-on manufacturers, every drum of tert-butyl cyanoacetate shipped out reflects years of learning from both successful and challenging production campaigns. We know firsthand which details matter to process chemists: low impurity counts, time-tested stability during shipment, and efficient secondary processing during downstream syntheses. The difference between one ester and another often shows up only after repeated production cycles and accrued customer feedback—a long-cycle process that shapes better manufacturing practices and sharper product differentiation.

    Tert-butyl cyanoacetate stands out for its precise combination of chemical stability, practical workup advantages, and real-world applicability in advanced synthesis. The path to a superior chemical product runs through the plant floor, the analytical lab, and the customer’s own reactor setup. Chemical progress happens where materials meet reliability, technical transparency, and mutual commitment to better outcomes. For our part, we aim to keep raising the bar—one batch, one improvement, and one customer conversation at a time.