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HS Code |
721840 |
| Name | 1-Methylxanthine |
| Chemical Formula | C6H6N4O2 |
| Molecular Weight | 166.14 g/mol |
| Cas Number | 6136-37-4 |
| Appearance | White to off-white crystalline powder |
| Melting Point | 313-315 °C |
| Solubility In Water | Slightly soluble |
| Boiling Point | Decomposes before boiling |
| Iupac Name | 1-Methyl-3,7-dihydro-1H-purine-2,6-dione |
| Pubchem Cid | 6886 |
| Synonyms | 1-Methyl-2,6-dioxypurine |
| Logp | -0.1 |
| Storage Conditions | Store at room temperature, dry place |
As an accredited 1-Methylxanthine factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 1-Methylxanthine is packaged in a 25g amber glass bottle, featuring a screw cap and a tamper-evident safety seal label. |
| Shipping | 1-Methylxanthine is shipped in tightly sealed containers, protected from light and moisture, and typically packaged in accordance with all applicable chemical safety regulations. Transport is conducted via reputable carriers, with clear hazardous material labeling and accompanying safety documentation to ensure safe and compliant delivery. Temperature control may be used if required. |
| Storage | 1-Methylxanthine should be stored in a tightly sealed container in a cool, dry, and well-ventilated area away from incompatible substances such as strong oxidizers and acids. It should be protected from direct sunlight and moisture. The storage area should be clearly labeled and restricted to authorized personnel, following all relevant safety guidelines and local regulations. |
Applications of 1-Methylxanthine in Industrial Manufacturing1-Methylxanthine is a specialty xanthine derivative used as an active intermediate in high-value chemical synthesis, advanced pharmaceutical production, specific food processing, and biochemical research. As an established upstream raw material, it supports precise industry needs in tightly regulated sectors. Below, we outline major verified industrial application fields for this molecule, focusing on real-world process integration, quality requirements, and validated end-uses. 1. Pharmaceutical Intermediate for Bronchodilator SynthesisMany respiratory drug manufacturers use 1-Methylxanthine as a core intermediate to synthesize theophylline derivatives and methylxanthine-based bronchodilators. Its structure supports site-specific alkylation and purification reactions, crucial for downstream process controls. Production lines implement batch synthesis under current Good Manufacturing Practices to support active pharmaceutical ingredient (API) manufacturing. In this route, 1-Methylxanthine enters the API workshop during the third or fourth reaction step, subjected to precise stoichiometric measurement and purity analysis to ensure regulatory compliance and traceability. Consistent raw material quality underpins the critical yield and impurity profile parameters of final theophylline products. Industry compliance standards
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2. Biochemical Assay Substrate for Enzyme KineticsBiotechnology laboratories use 1-Methylxanthine as a reference substrate in high-throughput enzyme kinetics studies, particularly for xanthine oxidase and demethylase activity assays. Its defined methylation position enables precise quantification of enzyme specificity and rate determination. QC chemists depend on its batch-to-batch consistency to calibrate instrument response and validate assay results. Preparative and analytical HPLC methods often include 1-Methylxanthine as internal control. Life science suppliers require traceability documentation and impurity mapping aligned with research-grade standards. Its inclusion in automated kinetics platforms supports reproducibility for regulatory documentation in preclinical screening environments. Industry compliance standards
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3. Analytical Reference Material in Environmental TestingCertified laboratories integrate 1-Methylxanthine as a reference material in protocols for environmental water and wastewater analysis. Its defined chromatographic properties and known degradation pathway make it useful for method performance verification in the quantification of purine derivatives. Standard laboratories implement rigorous documentation of manufacture, impurity profile, and storage controls to meet accreditation demands. Method development for LC-MS/MS and GC-MS requires precisely prepared working standards for regular calibration, sample spiking, and recovery benchmarking. Environmental testing providers demand long-term stability and traceability across production batches to pass audits by national and international bodies. Industry compliance standards
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4. Controlled Food Ingredient Analysis (Trace Component Marker)Advanced food safety labs apply 1-Methylxanthine as a trace marker in the analytical verification of caffeinated food products, including ready-to-drink beverages and specialty confectioneries. Its presence and concentration serve as proof-points for quality control, origin verification, and product authenticity. Analytical chemists develop UPLC, HPLC, and LC-MS/MS protocols using this xanthine derivative to differentiate between natural and synthetic caffeine sources. Compliance-driven labs operate under ISO and regional food safety standards, requiring full documentation for every analytical batch. On the manufacturing floor, QA teams incorporate 1-Methylxanthine into cross-validation methods, batch release checks, and recall investigation protocols, ensuring product integrity throughout the supply chain. Industry compliance standards
Typical usage ratio
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Every batch of 1-Methylxanthine we produce draws on decades of chemical manufacturing experience. This compound holds a unique place both as an ingredient and as a reference standard across various sectors, from analytical chemistry labs to the broader pharmaceutical industry. Understanding the nuances in its production, uses, and the way it differs from other related xanthines reveals a lot about what goes on behind the curtain in chemical manufacturing.
Our typical batch size sits between small-scale analytical amounts up to several kilograms per order, always tailored based on end-use. Consistency comes from close monitoring at every step, something that only a manufacturer in control of the entire process can achieve. The product leaves our site as an off-white crystalline powder, free-flowing and low in residual solvent. Purity runs greater than 99% by HPLC or GC, with water content usually sitting below 0.5% after vacuum drying. Chemists in our QC team spend significant time developing the most robust analytical methods for confirmation—no shortcuts here, since an impurity at a tenth of a percent can wreck a downstream study.
1-Methylxanthine, also called 3,7-dihydro-1-methyl-1H-purine-2,6-dione, carries CAS number 6136-37-4. This identifier reliably points to the same molecular structure in every major registry. Documentation always includes spectral data, impurity profiles, and synthesis origin, since repeatability for end users matters more than anything else. In our facility, the process begins at the raw materials: a xanthine core, methyl donors often derived directly from refined methylating agents, and solvents that come with supplier CoAs for every lot. We pressure-test every batch against international pharmacopeia standards, even for industrial clients not directly shipping to regulated markets.
The technical staff sticks closely to validated protocols, usually under inert atmospheres to prevent degradation. Our crystallization technique focuses on tight particle size distribution, since dust formation creates headaches for automated dispensing. Drying comes in low-humidity environments, monitored around the clock. Trace metal analysis gets run on each batch to head off contamination, and records from each lot stay on file for years—auditors walk in unannounced, and we welcome it.
1-Methylxanthine doesn't show up on splashy advertisements, but it supports a whole chain of scientific work. In many pharmaceutical labs, it enters the scene as a metabolic probe, letting researchers map out the enzymatic breakdown of xanthine derivatives. Years ago, one of our collaborators used our batches to establish a metabolite quantitation method for studying caffeine metabolism disorders—a study now cited widely in clinical pharmacology. We keep records of composition variation across production years, tracked against pharmacokinetic studies from various institutes.
In animal studies, researchers inject labeled 1-Methylxanthine to trace adenosine pathway blockages or to explore stimulant properties. One unique feature of our approach is the precise control over non-xanthine contaminants, which confound these delicate biological measurements if not eliminated. It also finds dual use as an intermediate: custom syntheses in specialty pharma sometimes use methylxanthine cores as branching points for new derivatives that target novel neurological pathways.
Another niche, but growing, application involves calibrating HPLC and GC-MS systems for environmental exposure studies. Our technical support team often fields inquiries about chromatographic behavior from environmental labs monitoring water treatment byproducts. After walking through method parameters, we share our retention time data, since older reference materials sometimes show chemical drift after long-term storage. Knowledge of stability and shelf life, not just listed expiration dates, builds trust. Our scientists have contributed to interlaboratory studies where 1-Methylxanthine serves as a check compound; these studies highlight how tight manufacturing tolerances prevent misidentification.
Xanthine derivatives come from a shared metabolic tree, but each variant shows distinct behavior under lab or production conditions. 1-Methylxanthine differs most sharply from 3-methylxanthine or 7-methylxanthine in both biological activity and downstream chemical reactivity. Colleagues in drug development often ask why their screening results differ dramatically with such small structural changes. The difference boils down to position-specific methylation on the xanthine backbone: it completely rewires interaction with enzymes like xanthine oxidase and methyltransferases. Synthetic chemists in our own labs have published side-by-side reactivity studies showing that 1-Methylxanthine's N1 substitution pattern fosters higher selectivity in subsequent functionalization steps, setting it apart as a versatile building block.
Our QC team has seen more than one external sample fail identity checks when clients assumed that any “methylxanthine” would behave similarly. This mistake often produces false positives in metabolic pathway studies, underlines why detailed paperwork and robust analytical records pay off in the long run. As the source, we keep every batch traceable by not just lot number, but synthesis route variation, since even solvent selection leaves detectable fingerprints.
In environmental science, the unique chromatographic behavior of 1-Methylxanthine helps differentiate pollutant profiles that otherwise blur together in tested samples. Pharmaceutical reference labs use this compound as a check against the more common caffeine and theobromine contaminants, especially in regions with complex regulatory standards. Building a reliable supply depends not only on our process stability but also on sharing data with these specialist labs. Over the years, we’ve participated in several round-robin studies aimed at cross-lab reproducibility, a practice that ultimately tightens quality for everyone.
Raw material sourcing shapes most of the surprises in any year's production cycle. Subtle shifts in xanthine or methylating agent quality lead to variation in reaction performance, even with best-in-class reactors and personnel. The supply chain challenges of the previous few years drove home the need for multiple validated suppliers. Our procurement and quality teams now jointly visit supplier sites, focusing on upstream process transparency. We’ve seen firsthand how overlooked inputs on the other side of the world can cascade directly into QC hold-ups here.
Regulations keep shifting. European standards, for example, began tightening impurity threshold guidance last year. We reviewed every SOP for trace organic impurity analysis, looping in regulators directly to clarify ambiguous points. Staying ahead demands a hands-on approach—modifying purification steps in real-time, retraining crew, and upgrading analytical equipment on a faster schedule than many peers. The added effort means nights and weekends in the lab, but such investments reflect in both customer retention and staff pride.
End-user feedback, especially from advanced research groups, shapes how we refine output. A pharmaceutical partner once flagged a rare breakdown product after subjecting 1-Methylxanthine to high-heat stability testing. Our team kept production on hold until we could replicate and resolve the issue, even though the affected batch amounted to less than 1% of our annual output. This obsessive attention to the way small changes ripple through laboratory and clinical results underscores why direct manufacturing control matters for specialty chemicals.
1-Methylxanthine users range from biochemists mapping metabolic pathways to analytical teams calibrating reference curves. The questions they send our way highlight recurring needs: confirmatory data packages, impurity mapping, and long-term storage studies. We don’t outsource this work—it comes from the same technical staff who oversee daily production. Having this hands-on manufacturing link means sharper troubleshooting for clients and easier translation of needs from lab to shop floor and back. Sometimes, what looks like a manufacturing question turns out to be a packaging or handling concern: static buildup during vial filling, or residual moisture uptake after shipping across humid climates. Detailed root cause analysis, informed by years of hands-on mistakes and successes, solves these issues in weeks when third-party firms struggle for months.
Each time a researcher contacts us with a question about 1-Methylxanthine, real-world anecdotes often carry more weight than technical documentation. One university lab we worked with had trouble achieving consistent recovery rates. Our technical advisor flew out, assessed sample handling techniques, and helped recalibrate glassware and solvent use—a solution rooted not in theory, but lived production practice. Knowing the product down to the operator level, not just the theoretical specs, allows us to bridge this gap for users new and experienced alike.
Unlike caffeine or other trimethylxanthines, 1-Methylxanthine carries a sharper sensitivity to moisture and prolonged exposure to light. Decades in the field taught us that not all storage containers are created equal: some plastics lead to micro-scale sticking or leaching, while specific glass types preserve both integrity and flow properties over longer periods. We’ve migrated over time toward amber glass with Teflon-lined caps for our standard packaging, based directly on feedback from customers who experienced sticking and clumping after only a few months on the shelf. Analytical records on stored lots from as far back as the early 2000s let us pinpoint optimal packaging and storage changes—a level of insight impossible without direct manufacturing involvement.
Shipping to markets with humid climates sometimes challenged long-term stability, even when airfreight runs smoothly. Several years ago, a biomedical lab in Southeast Asia reported a shift in pH and minor color change after receiving one of our shipments. We sent our own packaging expert to inspect both local storage facilities and their receiving protocols. Small changes to humidity control and handling practices made a huge difference, reflected in follow-up quality checks. The experience spurred us to redesign pallet arrangements, desiccant loads, and shipping checklists, ensuring repeat performance regardless of destination climate.
Responsible chemical manufacturing requires more than regulatory compliance. For 1-Methylxanthine, waste minimization shapes reactor design and solvent recapture processes. We invested steadily in closed-loop solvent systems, not just for cost reduction, but to drive down both emissions and handling risk. In practice, this means regular audits of our waste streams for both organic and inorganic byproducts, and real-time process monitoring that drives continuous improvement. The reduced residual solvent numbers we report on outbound lots result directly from these efforts, not as an afterthought, but woven into standard process design.
Customers and partners have pushed for greater detail about the environmental footprint associated with specialty chemical manufacturing. In response, our team worked closely with external auditors to develop a cradle-to-grave life cycle profile for 1-Methylxanthine production. Quantifiable reductions in solvent and water usage, along with energy efficiency reports on each spring’s production run, now get included in our annual review. Feedback loops between operators, engineers, and scientists on the ground speed up environmental improvements far more effectively than top-down policy changes alone.
Over the years, end-users have grown more sophisticated in their regulatory and analytical scrutiny. On the manufacturing side, we prepare for audits and customer site visits by documenting every aspect of 1-Methylxanthine’s manufacture, from raw material handling to finished product release. Our internal logbooks track the evolution of both analytical instrumentation and improved testing protocols: UV-Vis, HPLC, GC-MS, FTIR, and NMR all see frequent use, and staff rotate through refresher training each year. This deep technical discipline keeps us ahead of changes in international drug standards and gives customers measurable assurance.
Whenever a question of identity or purity arises, our protocol always puts head-to-head batch analyses front and center. We keep not only representative samples from every production lot, but also detailed performance logs for every batch of solvents and reagents. This means side-by-side comparison data, not just theoretical certificates, inform critical decisions. In one instance, a regulatory body requested retroactive impurity tracking for a custom-synthesized batch; modular batch records let us compile supporting data within hours. Keeping this level of detail accessible means the difference between seamless qualification and expensive product recalls.
Product innovation occurs on the factory floor, not just the research lab. Our team’s expertise in 1-Methylxanthine synthesis started with basic batch production, but now includes scalable continuous-flow processes aimed at reducing both lead time and environmental burden. These changes result from customer demands for larger or more frequent shipments—no manufacturer keeps up by standing still. Last year, an advanced pharmaceutical developer needed multi-kilogram lots in tight sequence, with precisely matched impurity profiles; the only way to deliver was to adapt both upstream sourcing and downstream packaging in real time. Technical adaptability comes from direct engagement with active users willing to share real-world feedback.
Scale-up brings new problems. Trace impurities change character as batch sizes increase, and traditional lab methods often fail to detect them. Our plant engineers and QC scientists review pilot-scale and full-scale runs together, mapping observed changes into process tweaks for the next round. This rapid turnaround distinguishes manufacturer-supplied material from repackagers, who typically can’t manage new process risks on their own schedules. A robust innovation pipeline comes from a willingness to spend time in the plant, listening to operators and line supervisors whose hands-on experience adds value beyond any textbook method.
Price and availability volatility across the specialty chemical market touch every aspect of our operations. Maintaining surety of supply for 1-Methylxanthine means longer-term contracting with preferred raw suppliers and agile logistics planning. In recent years, regional disruptions highlighted the vulnerability of relying on single-point sourcing; our response focused on diversifying sourcing chains and maintaining tighter inventory controls. Real-world impacts show up immediately: missed shipments disrupt customer studies, while early warning from our procurement staff allows us to warn users ahead of schedule. Being the actual manufacturer means we see these blips right away, adjust in real time, and communicate honestly—none of this gets lost in layers of resellers or traders.
Some years, regulatory changes in one region render existing product grades unsellable elsewhere. We allocate resources to both regulatory review and technical adaptation, never assuming that today’s perfect batch will meet tomorrow’s paperwork. Supply stability matters most to research customers on a deadline or a clinical trial timeline—our feedback channels exist to catch production or shipping friction early and keep product moving. These lessons only come from running the whole process end-to-end, not just reading about it after the fact.
Our experience as a direct producer grounds every commitment we make for 1-Methylxanthine. Shared learning from hands-on production, user collaboration, and regulatory engagement shapes every innovation and adaptation. The process remains dynamic: new analytical protocols, shifting expectations for safety and environmental responsibility, and unplanned market pressures constantly shift the playing field. By sharing our technical expertise and fostering open collaboration with both regulators and research partners, we create a more reliable, better-understood supply of this critical compound.
Supply chains, laboratory insights, and production improvements all converge in the ongoing story of 1-Methylxanthine manufacturing. End users—from research chemists to pharmaceutical developers—see the difference that dedicated, detail-focused manufacturing brings. Each success and setback builds institutional experience, which in turn informs everything from process design to customer support pipelines. By giving researchers and industrial partners the benefit of our years in the field, we not only keep pace with expectations, but help set the standard for quality and technical integrity. This is how we see the world of specialty chemicals: as an ongoing collaboration between manufacturing expertise and end-user application, where each informs and strengthens the other, batch after batch, year after year.