|
HS Code |
784226 |
| Chemical Name | 4-Tert-Butyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester |
| Cas Number | 164454-44-6 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.31 g/mol |
| Appearance | Colorless to pale yellow liquid |
| Purity | >98% (typical for research grade) |
| Solubility | Soluble in organic solvents (e.g., dichloromethane, ethanol) |
| Storage Conditions | Store at room temperature, protect from moisture and light |
| Smiles | CCOC(=O)C1=C(NC=C1C(C)(C)C)C |
| Inchi | InChI=1S/C13H21NO2/c1-6-16-13(15)12-10(3)14-9(8-12)11(4,5)7-2/h8,14H,6-7H2,1-5H3 |
| Refractive Index | n20/D ~1.485 (estimated) |
| Hazard Statements | May cause skin and eye irritation (general precaution) |
As an accredited 4-Tert-Butyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Amber glass bottle with screw cap, labeled with chemical name and hazard symbols, containing 25 grams of 4-Tert-Butyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester. |
| Shipping | The chemical **4-Tert-Butyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester** is shipped in tightly sealed containers, protected from moisture and light. Packaging complies with safety regulations for chemical transport. The product is labeled appropriately and shipped via approved couriers specializing in chemical deliveries, ensuring prompt and secure arrival at its destination. |
| Storage | Store **4-tert-Butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester** in a tightly sealed container, protected from light, moisture, and incompatible substances. Keep in a cool, dry, well-ventilated area, ideally at 2-8°C (refrigerator temperature). Avoid excessive heat or direct sunlight. Ensure proper chemical labeling and restrict access to authorized personnel, following standard chemical storage and safety protocols. |
Applications of 4-Tert-Butyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester in Industrial ManufacturingAs a specialized manufacturer, we supply 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester for established industrial sectors where it demonstrates proven utility. This compound’s unique structure supports advanced synthesis needs, particularly in high-value chemical and pharmaceutical production pipelines. Below we detail primary downstream applications, including compliance systems, precise dosage practices, integration phases, and representative finished goods. 1. Pharmaceutical Intermediates for Heterocyclic Drug SynthesisThis material acts as a key intermediate for constructing pyrrole-based heterocyclic scaffolds in pharmaceutical manufacturing. Process chemists leverage it to create complex drug precursors, where the tert-butyl substitution imparts stability during multi-step synthesis, enabling the controlled build-up of functionalized heterocycles for CNS and anti-inflammatory agents. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
2. Specialty Organic Pigment ManufacturingProducers employ this compound as a regulated precursor in the synthesis of high-purity pyrrole-based pigments for technical coatings and printing inks. Its structure facilitates the formation of color-stable chromophores, making it valuable for pigment molecules used in demanding industrial coloration processes. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
3. Electronic Chemical Synthesis (OLED/OPV Materials)Material scientists incorporate this ethyl ester as a tailored intermediate to introduce steric bulk and electron-donating effects in advanced organic semiconductors. In development environments for organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs), the compound enables formulation of finely tuned small-molecule or polymeric emitters and charge-transport materials. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
4. Agrochemical Active Ingredient DevelopmentIn agrochemical R&D and scale-up, this pyrrole derivative serves as a precursor for synthesizing novel bioactive substances, especially in fungicide and insecticide formulation. The tert-butyl substitution supports molecular modifications to fine-tune biodegradability and receptor binding, supporting the launch of proprietary crop protection agents. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
|
Competitive 4-Tert-Butyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester prices that fit your budget—flexible terms and customized quotes for every order.
For samples, pricing, or more information, please call us at +8615371019725 or mail to admin@sinochem-nanjing.com.
We will respond to you as soon as possible.
Tel: +8615371019725
Email: admin@sinochem-nanjing.com
Flexible payment, competitive price, premium service - Inquire now!
Every day, our teams focus on pushing boundaries in chemical synthesis. Over years of research and practical experience, we've addressed challenges that come from working with pyrrole derivatives. Out of that hands-on engagement with chemistry, we developed 4-tert-Butyl-3,5-Dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, a compound we’ve seen improve workflow reliability for chemists in both R&D and commercial settings. We keep quality control in-house and every batch is closely evaluated—right there in our own labs—before it leaves our facility. Our work on this molecule has shown what careful process control and a deliberate choice of starting materials really offer in a competitive market.
Our product doesn’t exist in a vacuum. We’ve worked long enough with pyrrole chemistry to understand just how difficult it can be to source material that consistently meets purity and performance needs. 4-tert-Butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester stands out through its chemical structure. The combination of a bulky tert-butyl group and two methyl groups at positions 3 and 5 gives chemists a unique handle for further functionalization. The ethyl ester group confers hydrophobic characteristics and moderate volatility, which chemists appreciate when tuning solubility or reactivity during synthesis.
From our own experience in producing both unsubstituted and mono-alkylated pyrrole esters, purity swings and lot-to-lot inconsistencies can derail entire projects. By optimizing the alkylation and esterification steps, we rarely see off-spec side products or color bodies that plague less-refined routes. Maintaining our proprietary process parameters keeps the isomeric ratio high and the chromatographic profile sharp. Chemists benefit from this because reactions run cleaner, and purification steps become more straightforward. These aren’t claims from a distant office. This feedback comes direct from technical staff and from customers who bring us their toughest scale-up challenges.
In practical terms, the presence of bulky tert-butyl and methyl groups at the 4, 3, and 5 positions limits unwanted electrophilic substitution on the pyrrole ring. Chemists targeting selective functionalization have fewer surprises—routes to novel ligands, specialty monomers, or intermediates run smoother. The ethyl ester leaves just enough steric hindrance to moderate hydrolysis rate under basic or acidic conditions, which lends extra flexibility for those orchestrating multi-step syntheses. There’s value in the way this molecule behaves with standard reagents: consistent melting points, reliable NMR signals, and a handy UV signature make monitoring reactions much easier.
Many of our largest-scale customers once struggled to stabilize yields and color quality on similar pyrrole esters, especially when processing at kilogram scales. After fine-tuning filtration methods and hydrogenation timing, we reached a stage where our output aligns with the least ambiguous NMR and GC-MS traces available for this structure.
Structure dictates function in every aspect of organic synthesis. In designing and manufacturing this ethyl ester, our chemists took lessons from years spent troubleshooting side reactions in pharma, pigment, and material science projects. The tert-butyl group blocks access to one face of the molecule, so electrophiles don’t attack as freely. This cuts down on unpredictable byproducts. For certain specialty catalyst or ligand projects, predictable blocking is critical for controlling the regioselectivity of further modifications—the difference between a viable scale-up and an unworkable impurity profile.
As we started offering this molecule in substantial quantities, we saw more teams use it as a building block for new polymers and electronic materials. The stability against atmospheric oxidation and its controlled reactivity made a noticeable difference, especially for users who had repeated trouble with discoloration and batch-to-batch drift on earlier-generation pyrrole esters.
Our own lab chemists approach this compound with respect. The combination of electron-donating methyl groups and a shielding tert-butyl group resists overoxidation in air and solution. This means less open air decay during storage, contributing to longer shelf-life—a point we’ve confirmed by direct stability testing in varying climates. Yields stay reliable even when running continuous flow processes. We’ve minimized the chance of introducing peroxide or amine impurities as well.
The production process behind our 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester involves multi-step synthesis, all beginning from fine-tuned pyrrole rings made in-house. Each stage passes through product-specific analytics: thin layer chromatography, high-performance liquid chromatography, and nuclear magnetic resonance to verify identity and purity. This isn’t a luxury—it’s practical necessity for us, since many of our customers work with highly sensitive downstream transformations.
Scaling up production of this pyrrole ester called for concrete process changes. Typical issues like incomplete alkylation, tarring, and excessive byproduct formation cropped up regularly in generic literature methods. Instead of off-the-shelf protocols, we ran pilot lots, altering temperature profiles, reagent stoichiometry, and solvent systems with each run. Persistence paid off. By controlling local concentrations during tert-butylation and using phase transfer catalysts, we now see reproducible reaction profiles—both in bench-top and industrial reactors. Managing heat release during formation of the ethyl ester required better temperature control and mixing equipment, so we invested there instead of cutting corners.
To meet the needs of pharmaceutical partners, we also structured our purification approach around the fact that pyrrole esters can be sensitive to both oxidation and acidic conditions. Avoiding strong mineral acids during work-up means fewer metal traces and less need for post-purification chelation. Flash silica chromatography rounds off the process and ensures we’re hitting expected purity marks without compromising safety or operator exposure.
Over time, we’ve seen customers use our material in several industries. Medicinal chemistry teams have used 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester as a masked carboxylate function for constructing heterocyclic scaffolds. Rather than free acids, the ethyl ester group provides greater solubility and synthetic convenience. Once their targets are assembled, saponification or acid hydrolysis reveals the carboxylic group at the last step, reducing drag on purification earlier in the process.
Polymer chemists look for building blocks that are stable yet functionalizable. Incorporating this compound into specialty oligomers gives controlled aromaticity and backbone rigidity, thanks to the alkylated pyrrole core. Pigment manufacturers have integrated our product into new dye series, appreciating the way our esters resist oxidation and provide reproducible absorption spectra—something that’s tough to achieve with less-modified pyrrole derivatives.
R&D groups in advanced materials have also built on our work. We saw a pattern where research teams testing new organic semiconductors couldn’t repeat electron transport measurements with generic pyrrole esters. With our compound, the limited scope for side reactions gave them more reproducible data on conductivity and breakdown voltages. For teams investigating optoelectronic devices, this stability means better batch homogeneity and performance that matches their modeling predictions.
Having managed both the upstream chemistry and customer feedback loop, our team knows where differences arise between this compound and more generic options. Simple pyrrole esters—like the unalkylated or mono-methylated analogs—offer less steric protection and are prone to metal-catalyzed dimerization. This means more time spent on re-purification and riskier scale-ups.
Cost comparisons don’t always tell the whole story. Slightly cheaper materials from traders may not reach our purity levels, and even minuscule traces of heavy metal or unreacted starting material can spoil entire batches of a downstream product. We’re strict about verifying that our compound is free of persistent impurities. When considering longer supply chains, especially those where the source is unclear, project timelines tend to stretch as revalidation eats up lab resources. We’ve seen ambitious projects derail due to failed quality audits on similar-looking pyrrole esters sourced elsewhere.
Versus more heavily substituted pyrroles, our balance of methyl and tert-butyl groups keeps the compound reactive enough for most coupling or condensation reactions, without crossing into the brittleness or instability seen with over-alkylated systems. It’s a fine line: too much bulk and you lose chemical flexibility, too little and you court unwanted side products. Through hands-on synthetic trial and feedback from a network of academic and industrial partners, we tuned our approach for the most practical outcomes.
Our own priorities shifted over the years as the market moved from basic research to scale-dependent applications. Chemists today seek tight control over input material properties. What this meant for us: investing in analytical technology, such as in-line NMR and rapid LC-MS, to pick up tiny impurities before they could reach the end user. We don’t delegate these steps. Our staff run, troubleshoot, and interpret them in the field, collecting data that helps both us and our customers avoid common pitfalls.
We often tune specifications by request: controlling particle size for catalyst loading, or adapting the ester chain length when specific hydrolysis rates matter. Customers with regulatory or safety requirements receive thorough documentation supported by our in-process monitoring and final COA review, tracked to batch-level data. Where some manufacturers subcontract basic QA steps, we keep these critical stages in-house. This results in fewer process interruptions downstream, and greater transparency for our clients.
Product development isn’t a one-time effort. Each additional observation on process stability, impurity profiles, or new application areas feeds back into our method development. Our team learns in real time from the successes and pain points of chemists who put these esters into practice. We know not every planned application will succeed, but by maintaining open communication channels with users of our pyrrole derivatives, we catch emerging industry needs and adapt quickly.
We’ve seen it so many times—issues that sound theoretical on paper look very different on a pilot plant floor or in a custom synthesis suite. Over the years, we grew wary of relying on secondhand information or outsourced technical advice. Instead, we’ve built up teams of synthesis chemists, analysts, and process engineers who all speak the same language. Decisions about process changes or specification tightening come from joint review and hands-on work, not just managerial signoff. Not only does this keep product integrity intact, it fosters a company culture built around shared accountability and pride in technical achievement.
Any chemist who’s struggled with raw material variability knows the headaches it can cause—delayed project launches, unexpected side reactions, and unrecoverable product loss. By drawing on our own direct experience, coupled with continual technical training and access to the latest analytical gear, our team solves these issues before our customers even know about them. It takes technical discipline to produce advanced heterocyclic esters like this consistently, but it’s the foundation of trust in long-term business relationships.
As research priorities shift toward greener chemistry and more specialized end products, we’re ready to adapt our methods. Our ongoing investments in safer synthesis technologies and alternative solvents have already trimmed waste from our process. Customers increasingly ask for greener reaction conditions and fully auditable supply chains. Our in-house tracking system and batch history mean we can provide upstream molecular provenance on request. This isn’t just a selling point—it’s a genuine technical challenge, and one we address through our own internal systems development.
Research pipelines now demand greater customization: sometimes it’s a different ester group for hydrolysis profiling, other times it’s isotope labeling for mechanistic studies. We approach each new request as a technical dialogue, considering feasibility, risk, and impact on downstream applications. Our focus remains steadfast: rigorous process development, open technical exchange, and hands-on accountability at every stage.
Ultimately, it’s the hard-earned experience—troubleshooting failed batches, optimizing yields, and engaging directly with customer R&D teams—that shapes everything we do. In producing 4-tert-Butyl-3,5-Dimethyl-1H-pyrrole-2-Carboxylic Acid Ethyl Ester, we stake our reputation on the principle that robust chemistry always begins with robust ingredients. Through every gram and every batch, we back scientists driving the next breakthroughs in pyrrole chemistry.