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1-Adamantyl Isothiocyanate

    • Product Name 1-Adamantyl Isothiocyanate
    • Alias AITC
    • Einecs 628-768-0
    • 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

    620900

    Chemical Name 1-Adamantyl Isothiocyanate
    Cas Number 698-32-6
    Molecular Formula C11H15NS
    Molecular Weight 193.31
    Appearance White to off-white solid
    Melting Point 118-120°C
    Density 1.2 g/cm³ (approximate)
    Solubility Slightly soluble in water; soluble in organic solvents
    Purity Typically ≥98%
    Structure Type Adamantane core with isothiocyanate group
    Iupac Name 1-isothiocyanatoadamantane
    Storage Conditions Store in a cool, dry place; keep container tightly closed
    Synonyms Adamantane-1-isothiocyanate

    As an accredited 1-Adamantyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 1-Adamantyl Isothiocyanate, 5 grams, packaged in a sealed amber glass bottle with a tamper-evident cap and safety label.
    Shipping 1-Adamantyl Isothiocyanate is shipped in tightly sealed containers, protected from moisture and light, and clearly labeled according to hazardous material regulations. It is transported under ambient temperatures with proper documentation and handling instructions, ensuring safe delivery while minimizing the risk of leaks, spills, or exposure during transit.
    Storage 1-Adamantyl Isothiocyanate should be stored in a tightly sealed container in a cool, dry, and well-ventilated area, away from moisture, heat, and direct sunlight. Store separately from strong acids, bases, and oxidizing agents. Properly label the container and keep it in a designated chemical storage cabinet, preferably under an inert atmosphere to prevent degradation or unwanted reactions.
    Application of 1-Adamantyl Isothiocyanate

    Applications of 1-Adamantyl Isothiocyanate in Industrial Manufacturing

    As a direct manufacturer of high-purity 1-Adamantyl Isothiocyanate, we support its integration into advanced industrial production, focusing exclusively on application channels where its properties meet stringent regulatory, technical, and performance demands. Below, we outline key downstream sectors where this intermediate delivers distinct advantages, together with compliance, formulation, processing, and end-product details relevant to professional users.

    1. Pharmaceutical API Synthesis: Targeted Oncology Compounds

    1-Adamantyl Isothiocyanate finds targeted use in the synthesis of cytostatic agents for anticancer drug development. Medicinal chemistry facilities employ it as a unique isothiocyanate building block to introduce adamantyl moieties into molecular frameworks. This integration advances drug discovery pipelines focused on enhancing bioavailability and cell permeability profiles in small-molecule kinase inhibitor candidates. Chemists determine its addition point within multi-step synthesis routes based on intermediate compatibility and end-use requirements. Final active pharmaceutical ingredients containing adamantyl groups advance into clinical and commercial formulations for oncology therapeutics.

    Industry compliance standards

    • ICH Q7A: Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • Ph. Eur. (European Pharmacopoeia) Monograph Specifications
    • USP General Chapters <800>, <1079>: Handling and purity controls for hazardous drugs
    • FDA cGMP 21 CFR Parts 210/211: Production, testing, and release of pharmaceutical APIs

    Typical usage ratio

    • Custom-dosed per synthesis step, typically 0.03–0.10 mol per mol of final target compound; quantities adjusted based on intermediate conversion yield and molecular weight of target structure.

    Downstream process integration

    • Introduced as the isothiocyanate source during stepwise batch or flow chemistry coupling after core heterocycle assembly, prior to final purification and salt formation of API.

    Final product types

    • Targeted small-molecule cancer therapeutics (e.g., kinase inhibitors, antineoplastic agents)
    • Intermediates for oral solid dose and injectable pharmaceutical products

    2. Advanced Polymer Modification: Specialty Coatings and Films

    Producers of engineered polymers incorporate adamantyl isothiocyanate moieties for post-polymerization modification, aiming to raise the glass transition temperature, hardness, and chemical barrier properties of thermoplastic elastomers and coating matrices. This intermediate participates in click-type functionalization steps, forming stable linkages with primary amines on polymer backbones. Specialty film and coating manufacturers run pilot and industrial-scale reactions to achieve durable, scratch-resistant surfaces suitable for protective electronics coatings and packaging films with extended shelf life and chemical inertness.

    Industry compliance standards

    • REACH Regulation (EC) No. 1907/2006: Chemical handling, polymer safety
    • RoHS Directive 2011/65/EU: Electronic equipment coating compliance
    • ISO 9001: Quality management for specialty materials production
    • EPA TSCA Inventory: U.S. polymer additive and modifier registration

    Typical usage ratio

    • 0.5–2.5% w/w relative to total polymer matrix, optimized according to coating thickness and required performance profile; formulations for electronics may employ upper limit dosages for maximum hardness.

    Downstream process integration

    • Added to melt-kneaded or solution-phase polymer before final extrusion, crosslinking, or curing; functionalization typically achieved under controlled temperature and inert atmosphere for consistent surface modification.

    Final product types

    • High-durability specialty coatings for touchscreens and instrument panels
    • Semi-crystalline and amorphous packaging films resistant to organic solvents

    3. Agrochemical Intermediate: Herbicide and Fungicide Synthesis

    Manufacturers in the agrochemical sector rely on 1-Adamantyl Isothiocyanate as a precursor for constructing innovative crop protection agents. Its rigid hydrocarbon skeleton serves as a platform for developing metabolic inhibitors with low volatility and strong soil-binding characteristics, contributing to formulations for selective herbicide and fungicide molecules. Synthesis teams control isothiocyanate incorporation to optimize downstream substrate specificity and environmental persistence. Final compounds undergo intensive field validation before integration into combinatory crop treatment systems.

    Industry compliance standards

    • OECD Guidance for the Testing of Chemicals: Agrochemical synthesis safety
    • FAO/WHO JMPR: Acceptable daily intake and residue testing for pesticides
    • ISO 17025: Quality control requirements for pesticide laboratories
    • EPA FIFRA: U.S. pesticide registration and residue compliance

    Typical usage ratio

    • 0.05–1.2 molar equivalents relative to core active ingredient; adjusted based on substrate reactivity and target field activity profile.

    Downstream process integration

    • Incorporated at core functionalization step during active ingredient synthesis, followed by purification and formulation into granules, wettable powders, or suspension concentrates.

    Final product types

    • Soil-acting herbicides for broad-leaf and grassy weed control
    • Protective fungicides for vegetable, cereal, and fruit crops

    4. Fine Chemical Synthesis: Chiral Ligand and Catalyst Preparation

    Producers of homogeneous catalysts employ this adamantyl derivative to introduce sterically demanding isothiocyanate groups into phosphine and amine ligands. The compound enables the tailoring of ligand geometry for increased selectivity in asymmetric catalysis, particularly in demanding pharmaceutical and fine chemical syntheses. Catalyst development teams carefully balance addition levels to maximize conversion rates and turnover numbers, while monitoring purity and batch consistency to meet stringent performance criteria for end-customers in process chemistry.

    Industry compliance standards

    • ISO 9001: Quality assurance for catalyst and ligand production
    • Chemical Facility Anti-Terrorism Standards (CFATS): Safe handling of precursor materials
    • Responsible Care Global Charter: Environmental and product stewardship
    • GHS classification and labeling for hazardous reagent handling

    Typical usage ratio

    • 0.08–0.5 molar equivalents, measured directly against the ligand precursor; lower dosages used for mono-functionalization, higher ratios for bis- or multi-functionalized catalysts.

    Downstream process integration

    • Introduced during substitution or addition reactions in aprotic solvents prior to purification by chromatography or recrystallization; subsequent application in transition metal-catalyzed transformations.

    Final product types

    • Chiral ligands for asymmetric hydrogenation and cross-coupling
    • Organometallic catalyst complexes for synthetic route optimization
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    Certification & Compliance
    More Introduction

    Introducing 1-Adamantyl Isothiocyanate: Reliable Backbone for Advanced Synthesis

    1-Adamantyl Isothiocyanate – Model: ANI-97

    Working with 1-Adamantyl Isothiocyanate over the years in our own reactors and quality lines has taught us just how much trust matters in a specialty building block. Colleagues ask for this product when demanding projects come along because its structure delivers robust performance and consistency batch after batch. Using model ANI-97, chemists step up to diverse transformations: synthesizing pharmaceuticals, refining agrochemical candidates, and assembling libraries for screening. We run a strict in-line monitoring process, ensuring NMR, GC-MS, and HPLC consistency every time, and our team inspects each lot, using findings to continuously sharpen process parameters.

    Key Characteristics We Put First

    The adamantyl group, known for its rigid cage-like geometry, stands out. Our synthesis maintains the purity edge (minimum 97% by HPLC) vital for downstream chemistry. Having a high melting point ensures easier solid handling, minimized volatility loss, and stable isolation across different climates, from dry-room warehouses to more humid plants. Technicians working with ANI-97 report straightforward weighing and transfer, reducing waste and simplifying workups in practical settings. We hear from customers in both research and scale-up; they tell us how our careful control over residual solvents, color, and free amine content spares them from unexpected rework, downtime, and lost yield.

    Where ANI-97 Makes the Difference

    1-Adamantyl Isothiocyanate provides a unique entry point for creating adamantyl ureas, thioureas, sulfonyl derivatives, and carbamates. These motifs turn up under the hood of several new-generation pharmaceuticals, especially where the adamantane backbone boosts lipophilicity, shields molecules from metabolic breakdown, or adds structural bulk to block undesired biological interactions. We support academic labs developing new kinase inhibitors, medicinal chemists aiming at novel CNS-active compounds, and process chemists who need scalable intermediates for patent-protected scaffolds.

    A challenge in isothiocyanate work lies in achieving high conversion and minimizing undesired side products. Our in-house batch trials confirm the selectivity benefits that ANI-97's bulky adamantyl group brings during nucleophilic substitution reactions. Colleagues report better outcomes—higher selectivity, simplified purification, and sometimes shorter reaction times compared to aryl or alkyl isothiocyanates. In practical terms, this translates into fewer chromatography runs, less risk of downstream cross-contamination, and an easier time validating reaction endpoints with standard QC methods.

    Direct Experience on the Manufacturing Floor

    From the moment phosgene alternatives hit the feed tank, right through to final packaging, our facility staff keep tabs on every critical control point. Each step in synthesizing ANI-97—from chloroformate introduction to final crystallization—relies on experience honed over years. Only familiar hands adjust the cooling rate or time the addition sequence. Each analytical result loops back to production, guiding solvent choice and temperature gradients for future runs. Having spent many hours alongside our operators, we value their approach: careful, methodical, and always quick to spot a minor impurity peak that could signal a drift in the process.

    Customers tracking lot-to-lot differences have praised the aspect of our process that delivers a tight specification range (usually <1% combined impurities). Our sample retention program allows for long-term tracing, so deviations seldom go unexplained. Over the last few years, requests for detailed impurity profiles and stability data have jumped. Responding to such requests, our analytical team expanded long-term storage stability testing, purposely holding both powder and solution forms at differing conditions to log performance data far beyond typical shelf lives. Being both the manufacturer and the steward of this product, we feel directly accountable for each shipment—our own labs use these same stocks, so any slip-up would quickly come to light.

    How ANI-97 Sets Itself Apart From Standard Isothiocyanates

    Experience has shown us that one size never fits all in complex organic synthesis. Traditional isothiocyanates, such as phenyl or butyl variants, come with their quirks—phenyl isothiocyanate offers good reactivity but sometimes leaves a persistent odor and often reacts too readily with sensitive nucleophiles. Butyl and other alkyl isothiocyanates have volatility issues and can spread noxious fumes throughout a facility. By contrast, 1-Adamantyl Isothiocyanate delivers a neutral experience for operators: nearly odorless, non-hygroscopic, and manageable on both small and large scales. In addition to these operator-friendly traits, ANI-97 resists oxidative degradation, sidestepping some of the shelf stability problems tied to other isothiocyanates, which often break down or yellow during storage.

    On the bench, chemists see a clear difference. Adamantyl moieties impart higher steric bulk, which often means cleaner reaction profiles and enhanced stability in synthesized products. Comparing yields from identical runs—one with ANI-97, another with phenyl or cyclohexyl isothiocyanate—we consistently observe not just side-by-side purity advantages but fewer labor hours spent cleaning up after the fact. Scalability further distinguishes ANI-97. Where some isothiocyanates demand nitrogen protection or ultra-low temperatures even for short-term storage, our material holds strong under ambient conditions in sealed containers for extended periods. This translates into both logistical freedom and cost savings for downstream users.

    Supporting Better Science and Production Efficiency

    As manufacturers, we recognize the constant pressure to cut downtime and avoid plant-level headaches. ANI-97 excels not because of specs on a sheet but because people using it have solved real-world problems with it. Synthetic teams aim to avoid costly bottlenecks from unstable intermediates. With ANI-97, project leaders have seen reactions that were once prone to stalling or failing in scale-up become routine. One pilot plant customer, tackling a novel urea derivative, moved from gram scale to multi-kilo campaigns without seeing a spike in rejection rates or lost time due to rework. The feedback: reduced side reactions, consistent crystallization, straightforward workup, and direct tieback to starting material quality.

    Reliability anchors every decision we make on ANI-97. Every kilogram comes from a certified, documented process—traceable not only by internal batch number but by all relevant intermediate analytics. This transparency lets everyone downstream—be it process engineers, formulators, or regulatory staff—trace performance limits and validate eventual product registrations with confidence. Where users have special requirements (ultrapure grade, customized packing), our quality team adapts workflows and executes new validations before sign-off.

    Responsible Manufacturing & Environmental Focus

    Running a clean, safe operation has real-world payoffs. Early on, our operations team switched over to closed vessel and HEPA-filtered facilities so that even minor emissions stayed well under permitted limits. By evaluating every solvent and using only certified sources, we've minimized our environmental profile relative to conventional open-batch isothiocyanation. We regularly audit downstream waste for both unreacted isothiocyanate and byproducts, coordinating with waste handlers so nothing leaves our site without full tracking.

    Because adamantane sources sometimes fluctuate with upstream refinery output, we work only with trusted partners who certify starting material identity and purity. Batch records show minimal variance in precursor quality, so our final product maintains the high bar our customers expect. Product safety—from reactor containment to finished drum—remains our commitment, with no compromise on training or standard operating procedures. Our EHS team reviews process hazards at regular intervals, refining response protocols and seeking feedback from shift crews after each campaign.

    Improving Product Lifecycles and Supporting Emerging Applications

    1-Adamantyl Isothiocyanate sees wider adoption as researchers discover new adamantane use cases. Medicinal chemists trace improved CNS penetration and metabolic stability to the adamantyl scaffold, often converting ANI-97 into tailored thioureas or carbamates for drug discovery programs. Materials scientists rely on its bulky group when screening for polymers or advanced coatings with enhanced thermal or oxidative resistance. Working with various labs gives us insight into application-specific performance, be it in early discovery or advanced process development. We see how product performance in a new context feeds back into process optimization, benefitting everyone along the supply chain.

    Industries value detailed support throughout the product’s lifespan, from sample dispatch and initial application through to batch validation and scale-up troubleshooting. Feedback loops play a vital role in this process. Insights from a biotech firm running novel screening programs, for example, spurred us to refine our drying protocol and provide new solubility data. Larger commercial partners have prompted us to adapt bulk packaging, reducing transit damages and improving delivery timelines. Our team proactively addresses such requests, sharing relevant analytical findings and process improvements directly with users working on sensitive programs or new regulatory submissions.

    Continued Innovation and Partnership

    As raw materials markets shift and new customer needs emerge, we continually revisit production planning. Over the last year, several teams asked for ANI-97 in higher purity brackets and with expanded impurity testing coverage. Not content with resting on past success, we invested in new chromatographic systems and collaborated with method development specialists, broadening our routine screening panel and improving sensitivity for minor impurities or hydrolysis products. Close ties with regulatory consultants mean that routine shipments comply with both domestic and international transport and registration standards.

    Manufacturing quality isn’t a slogan—it’s the outcome of ongoing, hands-on work: perfecting batch yields, troubleshooting filtration slowdowns, recalibrating instrumentation, and never cutting corners when it comes to documentation or root cause analysis. ANI-97 now serves as a template product for new isothiocyanate development. Many learnings from this operation—optimized solvent systems, fine-tuned temperature windows, process safety reviews—feed directly into the next generation of products and help maintain a culture of innovation and reliability.

    Challenges and Solutions in Delivering 1-Adamantyl Isothiocyanate

    No scale-up journey is trouble-free. Adamantyl chemistry can require challenging conditions—careful temperature control, precise reagent addition, thorough end-point verification. In the early days, our teams spent overtime hours running parallel test batches under different conditions to find the best crystal isolation route. We soon shifted to continuous improvement and cross-team debriefs after each production run. As a result, our technicians designed a staged filtration upgrade, cutting cycle times and nearly eliminating scale-related bottlenecks.

    Communication with clients’ lab teams remains central to troubleshooting. When a downstream step flagged minor but persistent byproduct formation, we worked jointly to identify the culprit: trace moisture in a late-stage purification solvent. Adjusting our drying procedure, we provided the next batch with analytical evidence and followed up with on-site technical support. This transparent, data-driven approach sets the foundation for trust and keeps us alert to both recurring and unforeseen challenges.

    Transport and long-term storage of ANI-97 present their own realities. Some isothiocyanates require expensive, high-barrier containers or refrigerant blocks due to low volatility thresholds. ANI-97 keeps its form and quality in high-density, sealed drums without the need for extraordinary precautions. Still, our logistics staff keeps temperature loggers running during every major shipment and arranges for rapid restocking should any anomaly occur.

    Commitment Beyond the Sale

    Decades of running our own quality system reinforce a simple point: End-users need more than a datasheet or a promise. They call asking for direct answers, backup documentation, technical support at all hours, and sometimes a walk-through of our plant audit records. Every request, every lot, every report—these aren’t just transactions; they reflect the real stakes behind each production order. For those building drugs, agricultural agents, or high-performance materials using ANI-97, documentation flows freely and regularly; validation support, method transfer documents, and batch-specific analytics all form part of our regular interaction.

    Being a true manufacturer, we stand behind every drum, vial, or analytics package leaving our gates. This means direct accountability: no layer of third-party resellers, no uncertain handling, no ambiguous supply trail. Customers value this directness and responsiveness, often citing it as their reason for sticking with us year after year. We share their successes—and bear responsibility when things don't go as planned.

    Looking Forward

    Chemical manufacturing has always depended on a blend of rigorous science and human judgment. 1-Adamantyl Isothiocyanate embodies that balance for us. Looking ahead, we see ongoing demand not just from time-tested fields like pharmaceuticals or specialty chemistry, but also from green chemistry and new materials development. Each emerging application brings new demands, prompting us to adjust processes, tighten tolerances, and share knowledge learned manufacturing every kilogram.

    At its core, ANI-97 stands as a proven, reliable intermediate designed and improved by hands-on experts who use what they make. Its track record owes as much to iterative manufacturing discipline as to its interesting chemistry. For innovators eager to move from idea to implementation, ANI-97—supported, tested, and refined by direct manufacturing experience—serves as a strong partner and a dependable component for next-generation synthesis.