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3,4-Diethoxyphenylacetonitrile

    • Product Name 3,4-Diethoxyphenylacetonitrile
    • Alias 3,4-Diethoxybenzyl cyanide
    • Einecs 253-748-8
    • 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
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    VTB
    Specifications

    HS Code

    728291

    Chemical Name 3,4-Diethoxyphenylacetonitrile
    Molecular Formula C12H15NO2
    Molecular Weight 205.25 g/mol
    Cas Number 7217-67-2
    Appearance White to off-white crystalline powder
    Boiling Point Estimated 354.9°C at 760 mmHg
    Melting Point 45-47°C
    Density 1.08 g/cm³ (estimated)
    Solubility Slightly soluble in water; soluble in organic solvents
    Smiles CCOC1=CC(=C(C=C1)CC#N)OCC
    Inchi InChI=1S/C12H15NO2/c1-3-15-11-7-10(6-8-13)5-9-12(11)14-4-2/h5,7,9H,3-4H2,1-2H3
    Refractive Index 1.538 (estimated)
    Storage Conditions Store in a cool, dry place, tightly closed container
    Purity Typically >97% (commercial sources)
    Synonyms 2-(3,4-Diethoxyphenyl)acetonitrile

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

    Packing & Storage
    Packing A 25g amber glass bottle with a screw cap, labeled "3,4-Diethoxyphenylacetonitrile," hazard symbols, batch number, and storage instructions.
    Shipping 3,4-Diethoxyphenylacetonitrile is shipped in tightly sealed containers to prevent moisture and contamination. It is transported as a chemical substance, complying with relevant safety, labeling, and handling regulations. Proper documentation, hazard labeling, and cushioning are provided to ensure safe transit. Store in a cool, dry place upon receipt.
    Storage 3,4-Diethoxyphenylacetonitrile should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible materials such as strong oxidizers and acids. Keep it out of direct sunlight and moisture. Store in accordance with standard laboratory chemical storage practices, ensuring proper labeling and access for authorized personnel only.
    Application of 3,4-Diethoxyphenylacetonitrile

    Applications of 3,4-Diethoxyphenylacetonitrile in Industrial Manufacturing

    As the original manufacturer of 3,4-Diethoxyphenylacetonitrile, we supply a critical intermediate serving defined sectors in advanced chemical synthesis. Below we present the principal downstream applications where our material supports regulated processes, precise formulations, and established manufacturing protocols, meeting the evolving standards of global industry.

    1. Pharmaceutical Intermediate Synthesis for CNS Active Compounds

    3,4-Diethoxyphenylacetonitrile is widely used as a strategic intermediate in synthesizing central nervous system (CNS) drug candidates, particularly in the preparation of substituted phenethylamine derivatives. It is introduced during the multi-step synthesis of active pharmaceutical ingredients (APIs) targeting therapeutic research compounds for neurological disorders, where the selective ethoxy substitution confers necessary electronic properties for subsequent amination and cyclization steps. Our industrial partners leverage this intermediate in process routes that require stringent documentation and impurity profile control, forming the core structure in active moieties of investigational CNS drugs.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice Guidance for Active Pharmaceutical Ingredients
    • U.S. FDA 21 CFR Part 210/211 – cGMP for finished pharmaceuticals
    • EU EudraLex Volume 4 GMP Guidelines
    • Relevant monographs in European Pharmacopoeia (Ph. Eur.) and United States Pharmacopeia (USP) where applicable to end-use API

    Typical usage ratio

    • Used at a stoichiometric ratio varying between 0.9 to 1.2 mole equivalents relative to target API intermediates, dependent upon valid yield optimization trials in multi-step organic synthesis. Adjustments account for variances in side-chain introduction and process-specific residue minimization strategies.

    Downstream process integration

    • Charged into reaction vessels following condensation or acylation steps; undergoes base-catalyzed alkylation or amination reactions, often under inert atmosphere, before downstream hydrolysis and purification to generate advanced pharmaceutical intermediates or CNS API precursors.

    Final product types

    • API intermediates for CNS drug development
    • R&D pilot-scale pharmaceutical intermediates
    • Reference standards for medicinal chemistry studies
    • Intermediate building blocks for preclinical compound libraries

    2. Agrochemical Synthesis: Preparation of Custom Arylnitrile Herbicide Precursors

    Formulators in the agrochemical sector utilize 3,4-Diethoxyphenylacetonitrile as a specialized intermediate for developing arylnitrile-based herbicide actives. This compound’s ethoxy arrangement is crucial for tuning selectivity and bioactivity in the resulting target molecules. It is employed in tailor-made synthetic sequences where downstream chlorination or nitration delivers high-value, crop-selective actives. Integration within validated process frameworks ensures regulatory traceability and batch consistency critical for field trial and commercial production approval.

    Industry compliance standards

    • ISO 9001:2015 Quality Management Systems for crop protection chemical manufacturing
    • FAO/WHO Specifications for Plant Protection Products
    • EU Regulation No 1107/2009 for plant protection product approval
    • U.S. EPA FIFRA guidelines for pesticide intermediates

    Typical usage ratio

    • Introduced at 1.0 to 1.3 molar equivalents in relation to downstream aryl halide or other nucleophilic coupling partners, subject to optimization in scale-up campaigns and efficiency assessment in process development.

    Downstream process integration

    • Feeds into the early stage of active ingredient synthesis, typically combined with chlorination agents, catalyzed by transition metals, and subsequently isolated prior to formulation into finished herbicides. Used in closed-system reactors for controlled conversion to substituted benzonitrile derivatives.

    Final product types

    • Precursor for post-emergent herbicide actives
    • Custom-synthesized intermediates for selective weed control solutions
    • Research and field trial samples for agrochemical evaluation

    3. Fine Chemical Manufacture: Production of Aromatic Ketone Intermediates

    In fine chemical plants, 3,4-Diethoxyphenylacetonitrile is introduced as an acetonitrile source for developing specialty aromatic ketones through catalytic hydrogenation or hydrolysis/alkylation pathways. Its unique substitution pattern allows for synthesis of high-purity functionalized ketones and aldehydes, serving as precursors to fragrances, dyes, and advanced monomers for specialty polymers. Batch records and analytical documentation maintain traceability required by high-value specialty chemicals operations.

    Industry compliance standards

    • ISO 9001:2015 Certified Quality Management
    • REACH (EC) No 1907/2006 Registration, Evaluation, Authorization and Restriction of Chemicals for European shipments
    • Customer-mandated incoming goods specifications and purity thresholds documented via certificate of analysis (COA)
    • Purity and residual solvent limits as per industry buyer requirements

    Typical usage ratio

    • Employed at 1 molar equivalent; process control may target slightly higher ratios (1.05 to 1.10) to compensate for conversion losses in multi-step synthesis, with optimization depending upon desired end ketone structures.

    Downstream process integration

    • Undergoes catalytic hydrogenation or partial reduction and Grignard reactions post-nitrile introduction, followed by purification for further conversion into aryl ketones or aldehydes needed in fine chemical creation.

    Final product types

    • Aromatic ketone intermediates for fragrances
    • Specialty monomers for advanced resin and polymer production
    • Dye and pigment intermediates
    • Functionalized aldehydes for fine chemical R&D

    4. Advanced Materials: Synthesis of Photoinitiator and UV-Absorber Components

    Leading producers of specialty photoinitiators and UV-absorbing compounds integrate 3,4-Diethoxyphenylacetonitrile into custom process routes where its electron-donating groups promote efficient intermediate formation during photoreactive compound synthesis. Primary applications include electronic-grade photoinitiators for UV-cured resins and coatings, where batch traceability, impurity profile management, and downstream compatibility with high-purity materials standards are required.

    Industry compliance standards

    • ISO 14001 Environmental Management Systems for advanced materials
    • Relevant segments of RoHS (Restriction of Hazardous Substances) Directive (2011/65/EU) for electronics applications
    • Customer-mandated analytical and purity requirements for electronic and coatings uses
    • GHS-compliant documentation for chemical safety in photoinitiator supply chains

    Typical usage ratio

    • Typically introduced at 0.8 to 1.3 mole ratio, tailored for the precise stoichiometry of additive synthesis. Precise levels are selected based on target reactivity and compatibility with other aromatic precursors in the formulation.

    Downstream process integration

    • Enters intermediate-stage alkylation or nitrilation sequence prior to core photoinitiator coupling or final purification. Aids in the generation of highly pure intermediates necessary for exacting UV performance targets in advanced coatings and electronics encapsulants.

    Final product types

    • Photoinitiator intermediates for UV-curable coatings and inks
    • UV-absorber compounds for plastics and resins
    • Electronic encapsulant additives
    • Specialty oligomer stabilizers
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