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HS Code |
127939 |
| Chemical Name | 5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-A]Pyrimidine |
| Molecular Formula | C11H4F6N4S |
| Molecular Weight | 340.24 |
| Cas Number | 144398-91-2 |
| Appearance | White to off-white solid |
| Purity | Typically >98% |
| Melting Point | 168-172 °C |
| Solubility | Soluble in DMSO, DMF; poorly soluble in water |
| Storage Conditions | Store at 2-8°C, protected from light |
| Smiles | CSC1=NC(C#N)=C2N=NC(C(F)(F)F)=C(C(F)(F)F)N12 |
| Inchi | InChI=1S/C11H4F6N4S/c1-22-10-15-9(5-18)8-7(11(13,14)16)6(17)3-20(8)21(10)4-2-12/h3-4H,1H3 |
| Synonyms | None widely known |
| Hazard Statements | May cause skin and eye irritation |
As an accredited 5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-A]Pyrimidine factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | A 1-gram amber glass vial, sealed with a PTFE-lined cap, labeled with chemical name, structure, hazard warnings, and batch number. |
| Shipping | Shipping of 5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-a]pyrimidine is conducted in compliance with relevant regulations. The compound is securely packaged in sealed containers, padded, and labeled appropriately for chemical transport. It is shipped under ambient conditions unless otherwise specified, with safety documentation provided to ensure safe and compliant delivery. |
| Storage | Store 5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-a]pyrimidine in a tightly sealed container, protected from light and moisture. Keep in a cool, dry, and well-ventilated area, away from incompatible materials such as strong oxidizers. Recommended storage temperature is 2–8°C (refrigerator). Ensure proper labeling and restrict access to trained personnel to maintain safety. |
Applications of 5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-A]Pyrimidine in Industrial Manufacturing5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-A]Pyrimidine serves as a critical component in advanced industrial formulations across agrochemical, pharmaceutical, and specialty chemical value chains. As a direct manufacturer, we supply this intermediate in compliance with sector-specific regulations, supporting demanding downstream synthesis and formulation processes. The following are key application fields with relevant standards, dosage, processing, and end uses. 1. Crop Protection: Herbicide Active IntermediateThis compound enables the synthesis of selective herbicidal actives for broadleaf and grassy weed management in cereal and oilseed crops. Agrochemical formulators introduce it in combination with tailored alkylators or sulfonyl precursors during the assembly of active ingredient cores, especially where high electron-withdrawing capacity is required for molecular stability. The material’s integration occurs during the initial condensation or cyclization stage before further functionalization and granulation. Crop protection groups rely on its predictable reactivity, high purity, and scalable supply for continuous production runs. Industry compliance standards
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2. Pharmaceutical API Intermediate SynthesisPharmaceutical companies utilize this compound for the construction of nitrogen-rich heterocycles in small-molecule drug candidates, especially kinase and enzyme inhibitors in oncology and inflammatory disease research. The intermediate enters medicinal chemistry routes requiring a fluorinated pyrazolo-pyrimidine scaffold, supporting late-stage functionalization and optimization cycles. Synthesis adheres to cGMP conditions, and each batch must pass spectral and purity controls before use in regulated environments. Industry compliance standards
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3. Specialty Coatings and Surface Treatment AdditivesManufacturers of fluorinated specialty coatings employ this compound as a performance modifier to impart tailored hydrophobic, chemical-resistant, and anti-corrosion features into polymer matrices. It is commonly introduced at the pre-polymer mixing or melt blending phase, especially for developing topcoats and functional films used in electronics, chemical containment, or aerospace sectors. Reliable supply consistency allows for statistical process control and reproducible product performance. Industry compliance standards
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4. Electronic Materials: Photoresist and Dielectric ModifierElectronics formulation chemists use this pyrazolo-pyrimidine derivative as a functional additive in photoresist materials and as a dielectric modifier for high-frequency printed circuit board (PCB) applications. The compound is typically dispersed into solvent or polymer systems before spin-coating or patterning, helping achieve low dielectric constants and enhancing resist pattern fidelity under plasma etching. Cleanroom-grade packaging ensures minimal contamination, supporting semiconductor-grade requirements. Industry compliance standards
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Making 5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-A]Pyrimidine in-house gives a unique sense of oversight and control. Every lot reflects hands-on attention, and the process relies on engineers who understand both the goals of the pharmaceutical sector and the demands of advanced materials. This compound plays a different role than many routine heterocycles in our catalogs. It appeals to medicinal chemists who seek both activity and selectivity, and it serves as a foundation for custom molecule construction where fluorine’s electronic effects can define molecular interactions in target binding sites.
Seasoned professionals recognize pyrazolo[1,5-a]pyrimidines for their broad relevance in medicinal chemistry. Adding two trifluoromethyl groups at the 5 and 7 positions, paired with a cyano substituent and a methylthio at the 2-position, shifts the electronic profile, making the molecule appealing to those designing new clinical candidates or advanced agrochemical scaffolds. Compared to simple pyrazolopyrimidines, this compound features greater electron-withdrawing character, thanks to the paired CF3 groups and cyano, while the methylthio introduces possibilities in further custom coupling or modifications. These features broaden its compatibility with various reaction conditions, and chemists appreciate the predictable behavior during late-stage functionalization.
Producing this molecule involves more than mixing ingredients. Each batch draws on years of cumulative process development—optimizing reagent addition, purification steps, and crystallization conditions to ensure minimum lot-to-lot variation. Actual batch records contain practical insights: how a subtle temperature shift during the methylation can impact yield, or how solvent purity influences crystal formation in the final stage. Many found that minor tweaks, such as fractionating solvents during workup, provided crystals that meet stringent NMR, HPLC, and LC/MS standards sought by clients who routinely reference our analytical data.
Working directly at the manufacturing site reveals the real-world hurdles: supply chain delays, purity drift with aged raw materials, and risk of cross-contamination. Control rests with those on the production floor. Technicians run parallel samples from different vessels to catch any unpredictable variations. Results of each step are checked in real-time by analytical chemists with regular calibration against working standards. These precautions create batches that align closely with the tight specifications required for early-stage screening and downstream scale-up.
This compound does not belong to the group of legacy chemicals with wide tolerance ranges and ambiguous purity notations. Customers often expect reliable NMR with clear singlets for the methyl group, sharp doublets and multiplets for the aromatic region, and a distinctive set of signals from the trifluoromethyl carbons in 19F spectra. Moisture content is checked not only at dispatch, but after warehouse storage, using Karl Fischer and loss-on-drying methods. Consistent results come from purging handling areas with clean, dry air and using sealed containers. By producing every batch ourselves, difficult surprises become rare.
Onsite teams frequently review both the process itself and environmental management protocols. Waste solvents are recycled, and emissions monitored, with summaries available for institutional purchasers with green chemistry interests. Employees receive routine training to identify unintended byproducts, and disposal follows transparent, compliant routes. Few appreciate just how much energy and oversight go into making an advanced trifluoromethylated heterocycle, but inside the plant, teams measure their environmental impact carefully.
Some buyers look to innovate kinase inhibitors or research blocks where structure-activity relationships depend on these unique substitution patterns. Others in materials science see value in the molecule’s stability and electron-withdrawing groups for optoelectronic or polymer research. Our technical partners value a compound that demonstrates stability, predictable synthetic behavior, and straightforward scale-up. They trust samples because direct feedback informs ongoing process tweaks. Conversations between production and application chemists drive small but impactful improvements, from filtration protocol updates to custom drying cycles matching unique project needs.
Chemists searching for a basic pyrazolopyrimidine often reach for simpler analogs. Once they need increased lipophilicity, altered pKa values, or the capacity for downstream coupling, the 5,7-bis(trifluoromethyl)-3-cyano configuration stands apart. The double presence of electron-withdrawing groups adjusts the molecule’s reactivity, making it less susceptible to undesired side product formation under certain reaction conditions often encountered in late-stage synthesis. It tolerates a broader pH spectrum and remains more resistant to oxidative stress compared to compounds lacking these protective groups. The methylthio substituent offers a handy handle for cross-coupling or further S-alkylation, and this flexibility translates to shorter synthetic routes for downstream high-value targets.
Consistency drives research progress. Medicinal chemistry teams build multi-stage syntheses relying on the reproducible reactivity of this core scaffold. Analytical teams often ask for side-by-side spectra from different lots, and our experience indicates the best way to keep customers is to anticipate their questions. Having all manufacturing in-house means the same team that troubleshoots a reaction also takes the customer call when issues arise. Over the years, repeat clients helped us tune our processes: one noticed small trace impurities from a specific solvent batch; another found a transient nonpolar contaminant during scale-up. Prompt feedback allowed us to correct these fast, integrating improvements for everyone.
For years, discovery teams cited bottlenecks when suppliers could not deliver precisely what they ordered, or they met variability in purity or solubility between shipments. Our direct approach answers these pain points. Without routing through brokers or multi-step distributorships, we solve problems faster. This fits well in areas where regulatory filings require exacting records and a solid chain of custody. Formulators planning a library of derivatives often request technical support beyond simple paperwork. Conversations start about polymorph identification or scale-up solubility; follow-through includes rapid sample dispatch, retesting, or custom packing for sensitive cold-chain shipments.
The feedback loop between researchers and manufacturing shapes the trajectory and quality of what we produce. For instance, an institution running high-throughput screening found that minor trace moisture content affected an assay—this detail, invisible to most, resulted in refining our post-drying steps and improving container sealing routines. Similarly, a user attempting a Suzuki coupling with the methylthio substituent gave insights about adjusting the workup to minimize trace heavy metal residues. Internal processes evolved thanks to honest reports—good or bad—because success in the lab and plant are inseparable.
Modern chemical work adapts to the realities of resource limitations and environmental expectations. Selection of raw materials factors both local and global impacts. Where possible, sourcing partners offer documented responsible procurement, and in-plant teams have reduced solvent consumption in multiple steps. Green chemistry is not just a buzzword. After multiple cycles of process development, we found practical changes, such as using less hazardous oxidants, yielded clean products and safer workspaces. These operational shifts deliver quality improvements and make production safer both for the team and the downstream users.
Projects often begin with a few grams for structural characterization, then shift to kilogram quantities once a lead compound shows promise. Scale-up does not always follow an easy doubling of ingredients: reaction times, mixing efficiency, and even filtration speed all need actual hands-on adjustment. Process engineers constantly evaluate mixing rates, temperature gradients, and select appropriate reactor linings to avoid trace contamination. Customers with longer-term projects benefit because lessons learned at the lab scale carry forward to pilot and full-production campaigns. Whether for synthesizing a handful of derivatives or preparing material for animal studies, experience at every scale builds trust in the product and its maker.
Questions frequently extend past specifications: how does this compound behave under photolysis, or what are the isolated yields for common transformations starting from this core? Application chemists ask whether a specific drying agent improves purity, or if alternate solvents are compatible with the trifluoromethyl groups. Our approach—grounded in direct synthesis and continuous dialogue—means teams can address concerns with practical advice, not just theoretical data. Occasionally a project requires a custom modification or alternative packaging. Rather than passing these requests through several intermediaries, our team meets these challenges head-on and adapts the process or packaging as appropriate to the project.
Advanced heterocyclic scaffolds like this draw investment from labs focused on cancer research, antiviral work, crop protection discovery, and even materials science. Their electronic complexity and ready adaptability provide a launching point for structure-activity relationship studies, targeted modification, or as reference standards for analytical method development. Companies counting on dependable starting materials recognize the value in predictable supply and deep technical knowledge, both of which grow through direct manufacturing.
Chemists repeat reactions, run controls, and depend on consistent materials to generate meaning in their data. For those in our team, pride comes from knowing that what leaves our facility supports this cycle of scientific discovery elsewhere. Years of refinement taught the importance of small operational details, from the timing on methylthio introduction to the source of carrier gases for purification. Advanced users seeking batch traceability, solid-state analysis, or impurity profiles find that real understanding follows regular, transparent reporting and access to the same team members who guide the process from bench to reactor.
Customers judge quality not only by purity or analytical documentation, but also by their ability to reach a chemist who can answer questions. Ongoing training ensures each point of contact understands both formulation and final application needs. For custom work, teams draw on a history of practical chemistry problem-solving, with records open for review if concerns appear down the line. Technical discussions—about everything from solvent substitution to scaling workups—inform updates to procedures and next-generation offerings.
5,7-Bis(Trifluoromethyl)-3-Cyano-2-(Methylthio)Pyrazolo[1,5-A]Pyrimidine operates far beyond simple catalog chemistry. From conception to dispatch, the molecule represents years of optimization, close conversation between producer and users, and steady improvements prompted by direct feedback. As application areas shift—whether in drug development or materials innovation—the value of in-house production only grows. Building trusted relationships with chemists worldwide keeps the focus not only on consistency and safety, but also on flexibility and readiness to meet evolving needs.