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3,4,5-Trimethoxyphenylacetonitrile

    • Product Name 3,4,5-Trimethoxyphenylacetonitrile
    • Alias 3,4,5-TMPAN
    • Einecs 239-305-3
    • 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

    491143

    Chemical Name 3,4,5-Trimethoxyphenylacetonitrile
    Molecular Formula C11H13NO3
    Molecular Weight 207.23 g/mol
    Cas Number 832-27-9
    Appearance White to off-white crystalline powder
    Melting Point 87-89°C
    Density 1.20 g/cm³ (approximate)
    Solubility In Water Slightly soluble
    Smiles CC1=CC(=C(C(=C1OC)OC)OC)CC#N
    Inchi InChI=1S/C11H13NO3/c1-13-9-5-8(4-6-12)7-10(14-2)11(9)15-3/h5,7H,4H2,1-3H3
    Storage Conditions Store at room temperature, protect from light and moisture

    As an accredited 3,4,5-Trimethoxyphenylacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle containing 100 grams of 3,4,5-Trimethoxyphenylacetonitrile, sealed with tamper-evident cap, labeled with hazard information.
    Shipping 3,4,5-Trimethoxyphenylacetonitrile is shipped in tightly sealed containers to prevent moisture and air exposure. It is typically transported as a solid under ambient temperature, following all local and international regulations for handling chemicals. Proper labeling and hazard documentation accompany the shipment to ensure safe and compliant delivery.
    Storage 3,4,5-Trimethoxyphenylacetonitrile should be stored in a tightly sealed container, away from light, moisture, and incompatible substances such as strong oxidizers. Keep it in a cool, dry, and well-ventilated area, ideally in a designated chemical storage cabinet. Properly label the container and avoid exposure to excessive heat. Always follow appropriate safety protocols when handling and storing this compound.
    Application of 3,4,5-Trimethoxyphenylacetonitrile

    Applications of 3,4,5-Trimethoxyphenylacetonitrile in Industrial Manufacturing

    As a direct producer of 3,4,5-Trimethoxyphenylacetonitrile, we supply this specialty intermediate to global manufacturers operating advanced chemical synthesis lines. Our material supports precise workflows across pharmaceutical, agrochemical, and specialty fine chemical sectors. Below, we detail specific real-world downstream scenarios, focusing on each application’s compliance, practical formulation, integration step, and target product types.

    1. Pharmaceutical Intermediate for Active Pharmaceutical Ingredients (APIs)

    3,4,5-Trimethoxyphenylacetonitrile is widely used in the synthesis of certain phenethylamine-based APIs, where its methoxy-substituted aromatic ring structure is crucial for targeted medicinal compounds. Major pharmaceutical manufacturers utilize this intermediate to construct key building blocks for selective antidepressants and antihypertensive agents, entering multi-step organic synthesis workflows under controlled environments.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice (GMP) for Active Pharmaceutical Ingredients
    • European Pharmacopoeia Monograph 04/2019:0703
    • US FDA 21 CFR Part 211 (Current Good Manufacturing Practice for Finished Pharmaceuticals)
    • WHO Guidelines on GMP for Pharmaceutical Products

    Typical usage ratio

    • In pharmaceutical synthesis, the intermediate is charged at 1.0 to 1.3 mole equivalents per targeted API unit. The exact ratio is set by route of synthesis and downstream conversion efficiency. Reaction scale ranges from 0.5% to 5% by weight of total reaction mass based on reaction step and batch size.

    Downstream process integration

    • Introduced at the early formation step during Grignard or reductive amination pathways as a core ring synthon, prior to hydrogenation, protection/deprotection, or coupling stages in the API manufacture.

    Final product types

    • Tricyclic antidepressants
    • Calcium channel blockers
    • Phenethylamine derivatives for CNS indications
    • Intermediate substances subject to further derivatization

    2. Agrochemical Synthesis for Selective Herbicides

    Agrochemical formulators rely on this compound during the multi-step construction of methoxyphenyl-containing herbicidal agents, especially for modern selective broadleaf herbicides. It enables efficient C–C bond formation during intermediate building, ensuring structural integrity for the active component.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius – Pesticide Residues in Food Standard
    • REACH Registration & Safety Data Sheet compliance (EC 1907/2006)
    • ISO 9001:2015 Quality Management for agrochemical manufacture
    • China National Standard GB 20811-2006 for Agrochemicals

    Typical usage ratio

    • Typically added at levels of 0.8% to 3% by mass to formulation batches for intermediate-stage herbicide synthesis. Process control labs adjust loading based on reaction conversion rates and waste minimization targets.

    Downstream process integration

    • Added during intermediate steps following initial aromatic nitrile synthesis, prior to incorporation of functional substituents or heterocycle closure reactions under anhydrous or controlled pH conditions.

    Final product types

    • Selectively targeted pre-emergent and post-emergent herbicides
    • Herbicidal intermediates for regulatory-compliant formulations
    • Bulk concentrate bases for agricultural sprayers
    • Technical-grade phenotype-based crop protection agents

    3. Custom Synthesis for Fine Chemicals and Chromogenic Agents

    Specialty chemical manufacturers use 3,4,5-Trimethoxyphenylacetonitrile to build chromogenic molecules and lab-scale marker compounds, leveraging its structural utility for further functionalization. This application supports analytical chemistry and fine reagent producers, who require consistency and high-purity input materials.

    Industry compliance standards

    • ISO 17034:2016 for Reference Material Producers
    • OECD GLP Guidelines (ENV/MC/CHEM(98)17) for chemical quality
    • ASTM D6786-20 for Organic Chemical Reagents
    • Sigma-Aldrich Analytical Reagent Purity Protocol

    Typical usage ratio

    • Standard addition rates range from 0.2% to 1.5% of total reaction mass, depending on the degree of substitution and desired chromogenic intensity. Labs adjust batch size according to required analytical output.

    Downstream process integration

    • Charged at precursor stage during small molecule condensation reactions, typically under basic or neutral pH with controlled temperature, facilitating personalized chromogenic compound development.

    Final product types

    • Spectroscopy standards
    • Chromogenic and fluorogenic analytical reagents
    • Specialty dyes for diagnostic test kits
    • High-purity intermediates for chemical instrumentation calibration

    4. Fragrance Ingredient Synthesis for Aroma Chemicals

    In the aroma chemical sector, 3,4,5-Trimethoxyphenylacetonitrile serves as a critical building block in the production of complex scent molecules, especially for warm woody or spicy note compositions in fine fragrances. Downstream manufacturers prize it for its contribution to the olfactory character of end-use products, relying on tight QC and traceability from source material.

    Industry compliance standards

    • International Fragrance Association (IFRA) Standards and Amendments
    • EU Regulation 1223/2009 on Cosmetic Products (relevant to fragrance components)
    • IFRA/IOFI Guidelines for Fragrance Industry Safety
    • ISO 9235:2013 Aromatic Raw Materials Quality Specification

    Typical usage ratio

    • In specialty blend synthesis, added at 0.3% to 1.2% by weight based on the complexity of the fragrance accord. Adjusted for stability and final composition, with lower amounts for concentrated bases.

    Downstream process integration

    • Fed during the alkylation or condensation synthesis of fragrance precursors, prior to esterification or aldehyde reactions that yield the final aromatic molecules for perfumery houses.

    Final product types

    • Woody and spicy note fragrance ingredients
    • Scent modulators for personal care and home care markets
    • Intermediate compounds for fine perfumery composition development
    • Aroma chemicals for industrial flavour and fragrance bases
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    Certification & Compliance
    More Introduction

    3,4,5-Trimethoxyphenylacetonitrile: A Manufacturer’s Perspective

    Understanding 3,4,5-Trimethoxyphenylacetonitrile from the Factory Floor

    Among the various fine chemicals we make every day, 3,4,5-Trimethoxyphenylacetonitrile (CAS: 4676-49-5) holds a distinct role. From the familiar hum of reactors to the sulfurous tang in the air, this compound has earned its place as a critical intermediate for the agrochemical, pharmaceutical, and advanced materials industries. In the plant, technicians watch for every detail: the right temperature, the proper feed ratios, and the subtle cues in the reaction mix. These steps guarantee the consistent quality and purity required by downstream users who often operate at tight tolerances.

    Molecular Model and “Chemist’s Eyeball” Checks

    This compound, with its three methoxy groups attached to a central phenyl ring and a cyanomethyl side chain, always draws attention. When pulling samples, we notice a pale off-white to light yellow appearance, signaling the expected product free from undue by-products. Its melting range stays close to 86–91°C. On our HPLC traces, purity consistently exceeds 99%. The tight control we apply during crystallization helps exclude related isomers or unreacted starting materials, delivering a product trusted by experienced chemists in research and industrial development.

    Practical Uses: Insights From Production and Application Partners

    Clients in pharmaceutical development recognize this compound’s value as a versatile building block. Synthesis projects—especially those aiming for complicated alkaloids or protected phenethylamines—lean heavily on its structure. The 3,4,5-methoxy substitution pattern opens doors for downstream transformations, enabling the staff in the process lab to install functional groups at precise positions. When we take client feedback, they mention robust performance in reactions like nucleophilic substitution or reduction, especially compared to less-protected analogs. In our experience, the stability of the methoxy groups also reduces the by-product load, which puts less pressure on their purification lines.

    Crop science teams frequently consult us regarding the role of this nitrile as an intermediate for active agrochemical ingredients. Compound libraries often expand from this structure, with combinatorial teams requesting custom batch sizes. Over the years, the mix-and-match possibilities stemming from the three methoxy protections have supported a variety of analog screening programs aiming to improve field efficacy or resistance profiles.

    Comparison to Similar Phenylacetonitriles: The Manufacturer’s Take

    Many customers start by asking about differences among phenylacetonitrile derivatives. From our viewpoint on the production floor, several aspects set 3,4,5-Trimethoxyphenylacetonitrile apart. Adding three methoxy groups affects solubility, reactivity, and even the odor profile in the isolation room. Less substituted phenylacetonitriles—those with a single or no methoxy—release sharper, sometimes more pungent odors. Years ago, during a switch from 3,4- to 3,4,5-substitution, teams in the plant noticed a marked improvement in the ease of crystallization and less fouling of the glassware.

    Triple methoxy protection modifies electronic properties on the phenyl ring, which guides how the molecule behaves under standard reaction conditions. In our reactors, 3,4,5-Trimethoxyphenylacetonitrile absorbs less moisture from ambient air than its non-methoxy counterparts, simplifying storage and transport. Clients focused on scale-up appreciate this change, since clumping or caking is rare even after months in the storeroom. In reactions where a stable nitrile group matters, the 3,4,5 substitution delivers the right blend of reactivity and resilience, sparing our customers unnecessary troubleshooting.

    No-Nonsense Batch Data: What Our Experience Shows

    Over several decades, batch records tell a story. In the early years, inconsistencies in raw material supply chains led to frequent re-analysis and extra purification steps. Now, with dedicated sourcing and regular audits, the lot-to-lot reproducibility stays solid. Technician notes on every order reflect a familiar confidence—the product meets expected standards, and shipment schedules run on time. Trouble tickets concerning this compound have dropped to nearly zero, a sign that the manufacturing and QC protocols developed over time give a real advantage to end-users.

    Beyond the Flask: Supply, Safety, and Regulatory Reality

    Bulk customers sometimes worry about the safety or handling precautions associated with phenylacetonitrile derivatives. In the plant, chemical-resistant gloves and routine fume hood use are non-negotiable for the operator’s protection. Dust and vapor controls, built into every production run, reflect the commitment to safety taught by seasoned supervisors. Spill events have become rare, thanks to engineered controls and regular staff retraining.

    Our regulatory team monitors shifting international chemical control laws. To avoid delays at customs or in downstream product registration, all documentation meets applicable chemical inventory and transport regulations. Customers frequently note that clarity in batch-specific paperwork and traceability reduces rework on their end, letting R&D or manufacturing stay on track.

    Solutions to Manufacturing Challenges: Learning Along the Way

    During initial years of producing 3,4,5-Trimethoxyphenylacetonitrile, purification caused headaches. Byproduct separation sometimes required multiple recrystallizations, eating into batch yields and running up solvent costs. After several trials, improvements in catalyst selection and in-line monitoring improved both yield and throughput. Modern plants, equipped with better sensors, allow us to detect endpoint completion by UV-vis absorbance, saving valuable time.

    Customers sometimes need non-standard grain sizes for specific use cases. For chromatography or solid dispensing lines, finely milled lots flow better and spread dust less. To address this, our team invested in adjustable milling and sieving systems. These investments took time to pay off, but feedback from formulation partners working at pilot plant scale justified the effort. Their less frequent hopper blockages and shorter cleaning cycles trace back to our shop floor upgrades.

    Supporting the R&D Pipeline: From Lab Insight to Industrial Scale

    Chemists working on active pharmaceutical ingredients or specialty chemicals lean on the ready supply of intermediates. From our end, the early phase demand for small, analytical-grade lots goes hand-in-hand with later requests for multi-kilogram batches. Each scale comes with its hurdles. During pilot projects, we often walk through special handling steps to limit contamination and to adapt to the client's evolving protocols. This collaboration prevents bottlenecks and often leads to tweaks in our in-house procedures—both sides learn in the process.

    Research groups sometimes request custom isotopically labeled versions or analogs bearing protected groups. Our process team has tackled several of these, developing tailored routes that share chemistry with our mainstream workflow. Once, a university lab needed a 13C-labeled version for metabolic tracing. Developing the route taught us more about optimizing reductive amination steps and about documentation requirements for controlled substances. That know-how strengthens future commercial offerings.

    Sustainability Practices Under Practical Constraints

    In modern chemical manufacturing, sustainability means updating practices without compromising on safety or shelf life. As part of a broader green chemistry initiative, we’ve tested lower-toxicity solvents and explored continuous-flow rather than batch production. These shifts often begin as small-scale trials, led by plant engineers with “operator sense” built from years on the job. Most customers care about the improvements behind the product—reduced waste, better emissions control—and the practical steps show up in annual environmental audits.

    We also look upstream, working with suppliers who disclose supply chains for key starting materials and reagents. Trusted relationships enable reliable scheduling and reduce the odds of disruptions that have arisen in other specialty chemical sectors. Large customers sometimes request environmental impact data; our ability to provide it encourages longer-term orders and sets us apart from resellers or third-party operators.

    Everyday Realities: Packing, Storage, and On-Time Dispatch

    Over time we learned small details can make big differences. Properly sealed, light-resistant drums and containers prevent degradation from ambient light or humidity. During peak shipping months, every order receives double checking against the pick-list. Missed details can delay QA release or cause downtime in a customer's line; avoiding those errors comes from repetitive training and a clear line of responsibility among warehouse staff. It’s a point of pride—something our plant crews talk about over lunch or after shift change.

    Cold-chain shipments, occasionally requested for high-purity material, follow precise timelines. Coordinated work between logistics and the floor ensures the product arrives in the same condition as it left our QC lab, with full documentation. Partnerships with reliable carriers avoid the pitfalls of bounced shipments or mystery delays, which crop up when third-party distributors cut corners.

    Key Takeaways From Bulk Production Experience

    Facilities with long track records see the daily impact of subtle variable control points. Early in a project, it’s easy to miss the cost from a leaky valve or a poorly purged tank; over a campaign, each small flaw can add up. By investing in preventive maintenance and real training—not just checklists but hands-on drills—teams catch potential slip-ups before they become actual bottlenecks. Over the years, fewer rush orders and late-night QC calls reflect the benefits.

    Direct relationships with our end-users improve feedback, allowing us to fine-tune the product for emerging applications. In bioconjugation chemistry, for example, requests for enhanced trace impurity data led us to extend our analytical toolbox. Each addition, whether a routine mass spec or a custom NMR analysis, helps the end user validate the product fit. This extra support grows organically from years of back-and-forth between our plant and the customer’s bench.

    Why Direct Manufacturing Matters: Lessons Learned on the Ground

    Being the original source makes a difference. Detailed knowledge comes from managing every production step in-house. By contrast, traders can only relay information; they rarely provide full transparency on batch consistency or underlying process improvements. We work closely with in-plant engineers and scale-up chemists, sharing operational innovations directly with our partners. These exchanges help set realistic expectations and promote genuine progress—fewer surprises, better overall outcomes.

    For companies seeking predictability in their supply chain, knowing where and how a key intermediate is produced gives real peace of mind. Site audits and plant visits reinforce the reality of our processes. Open communication also keeps us on our toes—the client base includes technical experts who spot inconsistencies quickly, holding us to account. The cumulative record of consistent operations, safe practices, and transparency stands as our best credential.

    A Manufacturer’s Promise: Keeping Process, Product, and People Aligned

    As a team, we take pride in the compound’s role across various high-value syntheses and the wider chemical industry. The discipline applied from R&D through finished product reflects what we’ve learned from each campaign: new technology, better operator training, closer client partnerships, and a sharper focus on service. These lessons, embedded in every drum we ship, mean more to us than any single lab result or certification. Each batch reflects the shared trust between the team on the floor and the partners who build with our materials, day after day.