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3-Methyl-2-(3,4-Dimethoxyphenyl)Butyronitrile

    • Product Name 3-Methyl-2-(3,4-Dimethoxyphenyl)Butyronitrile
    • Alias Verapamil Impurity 18
    • Einecs 421-020-9
    • 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
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    Specifications

    HS Code

    588271

    Chemical Name 3-Methyl-2-(3,4-Dimethoxyphenyl)butyronitrile
    Molecular Formula C13H17NO2
    Molecular Weight 219.28 g/mol
    Cas Number 27096-51-7
    Appearance White to off-white solid
    Melting Point 64-66°C
    Solubility Slightly soluble in water; soluble in organic solvents
    Purity Typically ≥98%
    Smiles CC(C)C(C#N)C1=CC(OC)=C(OC)C=C1
    Storage Conditions Store in a cool, dry place; keep container tightly closed
    Synonyms 3M2DMB, 3-Methyl-2-[3,4-dimethoxyphenyl]butanenitrile

    As an accredited 3-Methyl-2-(3,4-Dimethoxyphenyl)Butyronitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle, 25 grams; tightly sealed with screw cap, labeled with chemical name, CAS number, hazard pictograms, and supplier details.
    Shipping 3-Methyl-2-(3,4-Dimethoxyphenyl)butyronitrile should be shipped in tightly sealed containers, protected from light and moisture. It must be handled as a chemical substance, following local, national, and international regulations. Transport must occur in accordance with safety standards for organic nitriles, including proper labeling and documentation to ensure secure and compliant delivery.
    Storage Store 3-Methyl-2-(3,4-Dimethoxyphenyl)butyronitrile in a tightly sealed container, protected from light and moisture, at room temperature or lower. Keep in a cool, dry, well-ventilated area away from incompatible substances such as strong oxidizers and acids. Ensure proper labeling and follow standard laboratory chemical storage protocols to prevent contamination, degradation, or accidental exposure.
    Application of 3-Methyl-2-(3,4-Dimethoxyphenyl)Butyronitrile

    Applications of 3-Methyl-2-(3,4-Dimethoxyphenyl)Butyronitrile in Industrial Manufacturing

    As a specialized manufacturer, we supply 3-Methyl-2-(3,4-Dimethoxyphenyl)Butyronitrile for advanced synthesis applications where precise intermediate performance, regulatory compliance, and repeatable processing are essential. Below are the principal downstream industrial scenarios where this material reliably integrates into established value chains.

    1. Pharmaceutical Intermediate for Antihypertensive APIs

    This compound serves as a core nitrile intermediate in multi-stage synthesis routes for antihypertensive active pharmaceutical ingredients (APIs), especially within the class of tetraline derivatives. It plays a vital role in side-chain construction via alkylation and subsequent cyclization steps. Manufacturers value its consistency in regulated cGMP environments and the ability to control impurity profiles during reduction and functional group modification, which directly impacts final API purity and bioactivity.

    Industry compliance standards

    • ICH Q7: Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • EU GMP EudraLex, Volume 4
    • US FDA 21 CFR Part 211
    • Ph. Eur. and USP monograph process requirements

    Typical usage ratio

    • Ranges from 0.6 to 1.2 molar equivalents relative to targeted API synthesis, adjusted per stoichiometry and yield optimization; batch protocols frequently use 0.98–1.05 equivalents to ensure complete conversion.

    Downstream process integration

    • Material enters reaction at the side-chain alkylation step, typically after aromatic substitution, followed by base-promoted cyclization, reduction, and purification for precursor elaboration.

    Final product types

    • Antihypertensive APIs, including tetralone derivatives and their finished dosage forms (tablets, capsules).

    2. Building Block in Fine Chemical R&D for Specialty Aromatic Compounds

    Leading fine chemical manufacturers utilize this raw material as a foundational building block for constructing substituted aromatic intermediates destined for further modification. Its double methoxy substitution provides tailored reactivity in selective demethylation or oxidative cleavage, supporting the preparation of advanced ligands, catalysts, and performance additives. Research chemists appreciate its reproducible behavior in screening arrays for structure-activity relationship investigations.

    Industry compliance standards

    • ISO 9001:2015 Quality Management Systems
    • Responsible Care® Global Charter (for chemical safety and stewardship)
    • REACH Registration (where applicable in the EU)
    • HS codes according to WCO Harmonized System Guidelines

    Typical usage ratio

    • 0.2–0.4 molar ratios in combinatorial synthesis libraries; preparative routes often utilize 1.0 equivalents for target molecule assembly.

    Downstream process integration

    • Acts as the starting material for directed aromatic functionalization, subsequent demethylation or cyanide group transformation in specialized lab reactors or pilot plants.

    Final product types

    • Ligand scaffolds, complexing agents, aromatic additives for high-value polymerization and catalysis research.

    3. Intermediate for Agrochemical Active Ingredient Development

    Agrochemical firms require this molecule during the design and scale-up of novel nitrile-based herbicide and fungicide actives. Its stability under oxidative and alkylating conditions affords reliable incorporation into multi-step synthesis routes, enabling efficient side-chain diversification. Agrochemical QA teams monitor its batch traceability to ensure that intermediate material complies with stringent analytical and environmental benchmarks.

    Industry compliance standards

    • FAO/WHO Guidelines on Good Lab Practices (GLP) for pesticides
    • ISO 17025 Laboratory Accreditation (analytical verification)
    • EPA 40 CFR Parts 152-174 (US pesticide intermediates registration)

    Typical usage ratio

    • 0.8–1.0 mole per equivalent of target agrochemical; process chemists may slightly excess charge (1.05 equivalents) to drive complete substrate conversion in flow chemistry setups.

    Downstream process integration

    • Introduced as the primary nitrile-bearing intermediate in the pre-coupling step; further processed by hydrolysis, amination, and ring closure to build out the bioactive framework.

    Final product types

    • Nitrile-containing herbicide intermediates, fungicide pre-products, R&D pilot batches for field trial agents.

    4. Precursor in the Synthesis of Advanced Liquid Crystal Materials

    Advanced specialty electronics companies employ this compound as a functional precursor for liquid crystal monomers that require highly substituted aromatic cores. Its chemical structure allows for streamlined extension into non-linear molecular architectures through selective nitrile manipulation and ether cleavage, providing process economy and uniformity across pilot and commercial runs. Quality control relies on the tight monitoring of parametric purity and trace catalytic residues.

    Industry compliance standards

    • ISO 14001 Environmental Management Systems for electronics chemicals
    • RoHS Directive (EU Restriction of Hazardous Substances)
    • IEC 61249-2-21 Annex E (Halogen-Free Compound Guidelines)

    Typical usage ratio

    • 1.0–1.10 mole per target liquid crystal monomer; loadings determined based on desired side-chain substitution and degree of polymerization.

    Downstream process integration

    • Feeds the nitrile group into the core assembly stage for subsequent reduction or functionalization; typically used in batch-controlled reactors with continuous QC sampling.

    Final product types

    • Specialty monomers for liquid crystal display (LCD) films, advanced optical filter materials, and trial lots for organic electronic devices.

    5. Key Intermediate for Fragrance Ingredient Synthesis (Industrial Aroma Chemicals)

    Within the aroma chemicals sector, this compound is valued for its controlled reactivity in constructing complex aromatic aldehydes and related alcohols via nitrile transformation. Flavors and fragrance manufacturers select it due to its high purity, which minimizes off-notes and supports compliance with global ingredient standards. Downstream processes depend on precise catalytic hydrogenation and hydrolysis to yield target olfactory notes for perfumery and functional products.

    Industry compliance standards

    • IFRA Code of Practice (fragrance ingredient use)
    • ISO 9235:2007 (Aromatic raw materials for production)
    • EU Regulation (EC) No 1223/2009 on cosmetic products

    Typical usage ratio

    • 0.5–1.3 mole, adjusted by desired conversion efficiency and yield of final alcohol or aldehyde target; pilot blending trials inform final plant scale ratios.

    Downstream process integration

    • Material charged as a core aromatic precursor in hydrogenation or stepwise hydrolysis stages; output purified for later blending in fragrance compounds.

    Final product types

    • Fine aroma molecules, fragrance alcohols, aldehydes incorporated in luxury perfumes, household product scent bases.
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