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5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid

    • Product Name 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid
    • Alias 5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
    • Einecs EINECS 620-057-1
    • 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

    417559

    Product Name 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid
    Cas Number 1421372-66-8
    Molecular Formula C6H5BrN2O2S
    Molecular Weight 249.09 g/mol
    Appearance White to off-white solid
    Purity Typically ≥98%
    Solubility Slightly soluble in water; soluble in organic solvents like DMSO
    Storage Conditions Store at 2-8°C, protect from light and moisture
    Chemical Class Pyrimidine carboxylic acid derivative
    Smiles CSC1=NC=C(C(=O)O)NC1=Br
    Inchi InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-4(5(10)11)9-3-7/h2-3H,1H3,(H,10,11)
    Synonyms 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid

    As an accredited 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid, 10g, supplied in a sealed amber glass bottle with secure screw cap.
    Shipping The chemical **5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid** is shipped in a secure, airtight container under ambient conditions. Proper labeling ensures compliance with transportation regulations. The package provides protection from moisture and light, ensuring compound stability and integrity during transit. Handling precautions and safety documentation are included to guarantee safe delivery.
    Storage **5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid** should be stored in a tightly sealed container, away from moisture, light, and incompatible substances. Store in a cool, dry, well-ventilated area, ideally at room temperature (15-25°C). Ensure proper labeling, and follow local chemical storage guidelines. Avoid contact with strong oxidizers and acids. Use secondary containment to prevent accidental spills or leaks.
    Application of 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid

    Applications of 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid in Industrial Manufacturing

    5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid functions as a specialized intermediate in regulated chemical synthesis environments. As the original manufacturer, we supply this material for advanced downstream applications, where strict batch consistency, compliance, and precision integration into process workflows are required. The following sections detail real industrial applications, compliance frameworks, usage proportions, integration methods, and resulting products from actual commercial users.

    1. Pharmaceutical API Intermediate Synthesis

    This compound serves pharmaceutical manufacturers involved in small molecule drug development, primarily for the synthesis of pyrimidine-based pharmaceutical intermediates. Its reactivity and functional groups allow direct coupling, acylation, and substitution steps, supporting synthesis routes for oncology and antiviral drugs. Manufacturers employ validated chemical processes to integrate this intermediate at defined reaction points, ensuring consistent impurity profiles and regulatory traceability throughout multi-step synthesis.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • US FDA 21 CFR Part 210/211 (Current Good Manufacturing Practice)
    • European Pharmacopoeia (Ph. Eur.) monographs relevant to pyrimidines
    • REACH Regulation (EC) No 1907/2006 for registration and safe handling

    Typical usage ratio

    • 0.45 – 1.8 molar equivalents relative to target nucleophile, adjusted based on desired yield and selectivity within route design

    Downstream process integration

    • Batch addition at Stage-2 or Stage-3 of multi-step syntheses via acylation, Suzuki coupling, or nucleophilic aromatic substitution
    • Used directly in high-purity form after controlled drying and sieving (≤1% moisture)

    Final product types

    • Key intermediates for uracil-derivative anticancer APIs
    • Pharmaceutical bulk actives for pyrimidine-based antiviral agents
    • Building blocks for kinase inhibitor development libraries

    2. Agrochemical Intermediate Manufacturing

    Major manufacturers in crop protection chemistry utilize this compound as an essential intermediate for the preparation of sulfur- and bromo-substituted pyrimidine herbicides and fungicides. The compound introduces both methylthio and bromo functionality, supporting regioselective reactions that enhance crop safety profiles and persistence in formulated plant protection products. Formulators optimize yield and product quality parameters by precise control during chlorination or condensation steps of agrochemical production.

    Industry compliance standards

    • OECD Good Laboratory Practice (GLP) for test material synthesis
    • FAO/WHO International Code of Conduct on Pesticide Management
    • China Pesticide Registration Requirements (ICAMA)
    • REACH (EU) and EPA FIFRA (USA) for raw material traceability

    Typical usage ratio

    • 10–20% by weight in key step intermediates for downstream heterocycle construction; varies according to final pesticide molecule target

    Downstream process integration

    • Fed into condensation reaction tanks during Stage 1-2 synthesis of heterocyclic agrochemical ingredients, followed by quenching and neutralization
    • Material is purified post-reaction via crystallization to achieve required specification limits for pesticide precursor

    Final product types

    • Pyrimidine-based selective herbicide actives
    • Systemic fungicide building blocks for seed treatment
    • Precursor substances for novel insecticide synthesis

    3. Pharmaceutical Analytical Reference Materials

    Contract research organizations and pharmaceutical quality labs use this material as a certified reference standard in validated analytical methods. High-purity batches assist with quantification, impurity profiling, and verification of structural identity for process development or finished API analysis. Stringent documentation, batch testing, and release specifications ensure consistent analytical performance under standardized laboratory conditions.

    Industry compliance standards

    • USP/EP reference standard qualification guidelines
    • ISO/IEC 17025 for laboratory testing and calibration
    • ICH Q6A for specification setting and quality control
    • OECD GLP for traceability in laboratory use

    Typical usage ratio

    • 0.01–0.1% w/w spike in HPLC, LC-MS, or NMR analytical runs, matched to instrument sensitivity and calibration curves

    Downstream process integration

    • Dissolved in analytical-grade solvents for assay validation, impurity analysis, or stability testing of synthetic intermediates and APIs
    • Used directly as an external or internal reference material in compliance with laboratory SOPs

    Final product types

    • Certified analytical reference standards for laboratory distribution
    • Quality control kits for pharmaceutical manufacturing facilities
    • Analytical calibration solutions shipped to global contract labs

    4. Specialty Chemical R&D for Electronic Material Precursors

    Select companies in the field of advanced materials synthesis incorporate this compound in R&D programs developing new heterocyclic building blocks for organic electronic components. Laboratories synthesize functionalized pyrimidine scaffolds for use in semiconductors, organic light-emitting diodes (OLED), and thin-film transistor research, leveraging the halogen and thioether substitution for tailored functional group reactivity.

    Industry compliance standards

    • ISO 9001 for R&D and specialty chemical quality management
    • RoHS Directive (2011/65/EU) for electronic material supply chains
    • Cleanroom ISO Class 5–7 specification for certain downstream process steps
    • Material Safety Data Recording (CLP Regulation EU No 1272/2008)

    Typical usage ratio

    • 5–25% by mol depending on the compound library design and targeted device application in pilot-scale synthesis or proof-of-concept batches

    Downstream process integration

    • Integrated in parallel library syntheses via palladium-catalyzed coupling or nucleophilic substitution steps at the core material synthesis phase
    • Processed under inert atmosphere with in-line purity monitoring

    Final product types

    • Pyrimidine-functionalized monomers for organic semiconductors
    • OLED and display material precursors for prototype development
    • Functionalized intermediates for thin-film transistor R&D programs
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    Certification & Compliance
    More Introduction

    Introducing 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid: A Manufacturer’s Perspective

    Everyday Challenges in Specialty Chemical Production

    Not all specialty chemicals behave the same behind the scenes. Manufacturing and handling 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid brings its own rhythm and set of hurdles. Each batch that leaves our reactors represents days of careful monitoring, vent hood whirring, and direct adjustment, not just a line in a catalog.

    Our employees wear the smell of pyrimidine intermediates on their overalls and gloves. They track every color shift in the slurry as bromination starts and ends. There’s a difference between working from recipes in a book and steering the outcome in a live reactor—especially when sulfur and bromine are both present in the molecule. That difference shows in product quality and consistency.

    The Distinct Traits of 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid

    This molecule stands out in our intermediate line-up. The bromine sits on the five-position with real intent. It pushes the electron density, setting up interesting substitution pathways in the lab. The methylthio group at the two-position gives it a different set of reactivity than, for example, a plain bromo-pyrimidine.

    Carboxylic acid at the four-position tells a different story than amides or esters in similar pyrimidines. It gives users more handle for further derivatization — that matters to companies working on custom library synthesis, crop protection scaffolds, or early-stage medicinal chemistry. The molecule appears as a pale to off-white solid. The acidity in that carboxyl group subtly alters how it dissolves, which becomes clear when you try to move it between organic and aqueous phases. Many operators only appreciate this once they have the compound in hand.

    Understanding the Material Beyond the Data Sheet

    This isn’t a flashy blockbuster compound, but it often goes unnoticed how useful it can be. Chemists rarely buy these compounds for demonstration purposes; they use them to build dozens of other structures. We put a lot of focus into batch-to-batch reproducibility, which isn’t just a slogan but a reflection of close process control and purification at the manufacturer level.

    Inconsistent feedstock purity brings a headache downstream, especially for customers who need precise HPLC or NMR profiles before proceeding. In our quality lab, we work to prevent variability early, not just detect it after the fact. For 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid, this means a sharp eye on unwanted brominated byproducts and over-oxidation of the sulfur group, both of which can sneak in if a process runs too hot or air leaks into the system.

    Real-World Uses and Performance in the Lab

    Most people look at this compound as an intermediate for more elaborate heterocyclic frameworks. Its halogen and sulfur combination draws the attention of medicinal and agricultural chemists looking for novel analog development. As a building block, it finds use in coupling reactions, especially those involving palladium catalysis or nucleophilic aromatic substitution. A lot of development work in small-molecule pharmaceuticals and crop protection starts with scaffolds like this one.

    The difference between it and more common derivatives—like unsubstituted or simply methylthio-pyrimidine carboxylic acids—can be pronounced in these settings. The bromine supplies a straightforward leaving group. The sulfur-containing methylthio moiety invites particular design features seen in some late-stage leads. In practical application, the presence of both functional groups increases the number of viable synthetic cross-coupling transformations, which lets customers expand the diversity of compound libraries without a hitch.

    Some researchers favor this product in the search for next-generation kinase inhibitors or agrochemical leads. Its structure slots seamlessly into SAR (structure–activity relationship) studies, and the carboxyl group offers easy modifications: conversion to acids, amides, or esters—or attachment to various bioactive ligands. It delivers more than a standard carboxy-pyrimidine, since the methylthio and bromo groups can direct synthetic transformations with greater precision.

    Manufacturing Process Insights and Safety Considerations

    No two runs behave exactly the same, and minor changes—humidity, batch scale, or a different lot of bromine—demand recalibration. In our experience, maintaining inert atmosphere and monitoring trace water levels have a significant impact. The methylthio group warrants particular care during the oxidation and isolation steps. Over-exposure to oxidizing agents can rapidly alter product purity. That nuance is easy to miss without seasoned process chemists adjusting parameters as needed.

    Purification walks a fine line. Too aggressive a method strips out the target molecule; not enough leaves behind polysubstituted side-products. Close TLC and LC-MS tracking throughout preparative steps tip the outcome toward product yields that actually support customer project timelines. Experience has shown that routine QC—down to the milligram—matters more in the long run than massive headline yields.

    Handling and packaging are tailored to prevent compound degradation or cross-contamination, especially since trace brominated or sulfoxide byproducts can alter downstream activity. Shelf stability often comes down to controlling lid tightness, desiccant levels, and prompt shipping.

    Differences from Other Pyrimidine Intermediates

    Over the years, we have compared this product directly to related pyrimidine carboxylic acids without the halogen or sulfur groups. The plain acid forms are more straightforward in synthesis but can lack versatility in downstream functionalization. Substituting chlorine for bromine on the five-position alters reactivity, leading to less predictable outcomes in cross-coupling reactions—bromine’s size and leaving group ability come out ahead for most transformations.

    Where some other pyrimidine intermediates can lose their structural identity in rougher reaction conditions, the methylthio and bromo combination tends to hold up better. This saves time for research customers who routinely adjust their conditions on the fly. Attempting similar modifications on a non-brominated scaffold, we have seen drop-offs in yield and additional side-reactions.

    Another key contrast: A pyrimidine structure lacking a carboxylic acid, carrying a nitrile or aldehyde instead, often needs extra protection or deprotection operations before it fits into the same downstream chemistry. That slows projects when time is tight or the lab is running at full tilt. Our product lets chemists move straight into amide or ester formation and opens paths towards late-stage biological testing without the extra work-up. Every day we fill orders, these finer details come up in technical phone calls and feedback emails from working labs.

    Batch Quality, Scalability, and Consistent Supply

    The compound’s place in our production calendar depends on advance planning with multiple end uses in mind. Requests come in from contract research organizations, pharmaceutical labs, and agrochemical start-ups. Early on, we learned that one-off kilo batches only support so many projects before we get a phone call asking for more—sometimes weeks after the original batch shipped out.

    Maintaining a stocked supply, with controlled crystal size and moisture content, gives customers peace of mind. We prepare both research and pilot plant-scale runs, keeping careful logs to track conditions and outcomes. The process scales up, but that comes with hands-on experience reading both the chemistry and the demand curve. Quality slips when volume ramps up too quickly and operational discipline lapses. We rely on trained operators and purposely analog instrument checks during critical switchover steps for this very reason.

    A lot of our business is repeat orders—the best indicator of truthful performance, in our view. If a compound fits a project’s needs exactly once but delivers inconsistent purity, customers move on. Commitment to the real work of problem-solving, not just fulfilling a material spec, keeps that cycle running.

    Meeting the Demands of a Changing Market

    We keep our ears close to market demand, not just the requests that come through official channels. Sometimes a research chemist reaches out to describe a new method or substrate where the methylthio and bromo groups actually unlock something not possible with cheap commodity intermediates. Changes in regulatory frameworks—like revising allowed levels of residual solvent or impurity—prompt a quick response. Labs turn away from intermediates that miss these cutoffs, no matter how strong performance was in the past.

    Supply continuity matters more than it appears on paper. As with many specialty chemicals, logistical disruptions upstream can slow the delivery chain. We developed multiple sourcing streams for raw feeds and trained our team to adjust process schedules to run cost-efficient campaigns. Instead of long downtimes waiting for a single key raw material, our crews flip to other production lines or stagger work shifts. This flexibility keeps our customers on track.

    The global push towards greener chemistry also pokes at traditional bromination methods and sulfur handling. Our R&D team runs ongoing trials on minimizing waste and improving solvent recycling. Small tweaks—like refining crystallization recovery or swapping carrier solvents—can add up to sizable reductions in both waste output and operational risk. Improvements here help us meet both shifting regulations and the expectations of increasingly sustainability-focused clients.

    Technical Support: The Bridge Between Bench and Production

    Some days, the most valuable thing we offer isn’t the drum itself but the line to our technical support team. Project chemists who troubleshoot reactions at two in the morning—and run into odd coloring, solubility, or side-product formation—frequently call us directly. We walk through potential solvent swaps, cleaning protocols, or even subtle changes in base or acid conditions. Those discussions make for smoother project milestones and less troubleshooting down the road.

    Feedback from the field shapes our next batch run. Notes about issues in late-stage purification or unexpected NMR doubling flag areas for closer process review. Each constructive complaint triggers a root-cause analysis and often, gentle tweaks in the plant routine. End-users notice not only the difference in reagent performance but also in customer support. This creates a cycle of trust; real chemical manufacturing doesn’t tolerate shortcuts long-term.

    Challenges and the Road Ahead

    Sourcing quality raw materials—especially halal or kosher certified methylthio supplies—continues as an ongoing challenge. Regulatory tightening and ESG initiatives load further paperwork and batch testing onto the process, but meeting those hurdles prevents headaches both for us and for our end users. Small defects or off-spec shipments create a ripple effect; one misstep turns into a failed synthesis weeks later. We’ve pushed for direct supplier audits, batch-specific COAs, and routine third-party confirmation not just to satisfy auditors but to secure downstream confidence.

    This kind of vigilance pays off. Every successful synthesis that uses 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid as a stepping stone—whether for an insecticidal screening library or a new anti-cancer lead—validates the care spent upstream. We see our work reflected in the patent literature and journal publications: acknowledgment lines referencing our product, our team’s guidance, or direct troubleshooting of a synthetic roadblock.

    Where Performance Meets Real-World Chemistry

    Talk to enough synthetic chemists and you quickly learn what counts isn’t the promise on a data sheet but a track record of timely delivery and honest reporting. Issues in processability, moisture content, or byproduct interference become clear only during benchtop work, not at the contract negotiation stage. Circumstances change year by year—analytical requirements tighten, impurity levels get recalculated, methods evolve. We match those demands batch by batch, not just by loading on disclaimers or qualifiers.

    Our team welcomes technical back-and-forth, fielding inquiries from scientists aiming for untested transformations or novel modifications. We answer with facts from our plant floor experience and support ongoing collaboration. The chemical industry builds progress off this sort of continuous loop between manufacturing and research, not just the transfer of goods but the exchange of hard-won know-how. At the end of the day, that focus on practical chemical experience continues to separate dedicated producers from distant middlemen.