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Pivaloylacetonitrile

    • Product Name Pivaloylacetonitrile
    • Alias 2,2-Dimethylpropanenitrile
    • Einecs 246-340-7
    • 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

    873900

    Name Pivaloylacetonitrile
    Cas Number 5187-23-5
    Molecular Formula C7H11NO
    Molecular Weight 125.17
    Appearance White to off-white solid
    Melting Point 43-45 °C
    Boiling Point 78-80 °C at 0.6 mmHg
    Density 0.97 g/cm3
    Solubility Slightly soluble in water
    Smiles CC(C)(C)C(=O)CC#N
    Inchi InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
    Synonyms 2,2-Dimethyl-3-oxobutyronitrile
    Storage Temperature Store at 2-8°C
    Refractive Index 1.439 (Predicted)
    Flash Point 104 °C

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

    Packing & Storage
    Packing Pivaloylacetonitrile is supplied in a 25 g amber glass bottle, sealed with a screw cap, and labeled with hazard information.
    Shipping Pivaloylacetonitrile should be shipped in tightly sealed containers, protected from moisture, heat, and sources of ignition. Ensure proper labeling according to local regulations for hazardous chemicals. Transport in accordance with relevant ADR, IATA, or IMDG guidelines, using appropriate secondary containment and protective packaging to prevent leaks or exposure during transit.
    Storage Pivaloylacetonitrile should be stored in a tightly sealed container, protected from moisture and light, in a cool, dry, well-ventilated area. Keep away from sources of ignition, heat, and incompatible substances such as strong acids and oxidizers. Store under a nitrogen or inert gas atmosphere if possible. Ensure the storage area is equipped with appropriate spill containment and labeling.
    Application of Pivaloylacetonitrile

    Applications of Pivaloylacetonitrile in Industrial Manufacturing

    Pivaloylacetonitrile serves as a key intermediate in several advanced chemical manufacturing sectors, supporting controlled synthesis steps for specialty and fine chemical production. Our in-house manufacturing enables consistent purity for integration into downstream industrial processes across regulated industries.

    1. Agrochemical Active Ingredient Synthesis

    Pivaloylacetonitrile operates as a critical building block in multi-step syntheses of selected modern herbicide and fungicide actives. Technical teams employ it during the alkylation and nitrile functional group construction, streamlining the production of pyridine-based crop protection agents through robust, scalable routes. Its predictable reactivity and impurity profile meet stringent requirements for use early in the synthesis pathway while maintaining downstream compliance.

    Industry compliance standards

    • European Union Regulation (EC) No 1107/2009 for plant protection product safety
    • US EPA regulations on pesticide ingredients (FIFRA)
    • China GB/T 1604-2018 Pesticide Raw Material Quality Standard
    • ISO 9001:2015 audited QC protocols for agro-intermediate supply

    Typical usage ratio

    • Input rates range from 0.8–2.4 molar equivalents per active ingredient batch, precisely adjusted according to downstream yield optimization with reaction-scale process analytics guiding dose efficiency.

    Downstream process integration

    • Introduced during early-stage coupling reactions, typically via Knoevenagel-type condensations or alkylation steps prior to hydrogenation, followed by integration into protected intermediate streams within a closed batch or continuous flow setup.

    Final product types

    • Pyridine herbicides (e.g., pyridate, clopyralid)
    • Triazole fungicides (e.g., cyproconazole intermediates)
    • Miscellaneous selective weed control agents

    2. Pharmaceutical Intermediate for α-Amino Acid Derivatives

    Multiple small-molecule drug manufacturing routes utilize pivaloylacetonitrile for the synthesis of α-substituted amino acid intermediates. Pharmaceutical process chemists introduce it in enantioselective multi-step Grignard and Strecker-type reactions to enable the structurally controlled assembly of tailored active pharmaceutical ingredient (API) scaffolds while meeting global regulatory and trace impurity criteria.

    Industry compliance standards

    • ICH Q7 GMP for API manufacturing
    • European Pharmacopoeia monographs on pharmaceutical intermediates
    • US FDA 21 CFR Part 210/211
    • Chinese Pharmacopoeia (ChP) 2020 Edition

    Typical usage ratio

    • 1.0–1.7 molar equivalents per core intermediate synthesis; adjusted for yield and stereochemical control based on batch documentation and validated analytical methods (HPLC/GC).

    Downstream process integration

    • Entered at the condensation phase in protected amino acid synthesis; used in nucleophilic addition or transnitrilation steps prior to deprotection, automated isolation, and purification regimes.

    Final product types

    • Non-natural α-amino acid drug intermediates
    • Pyrrolidine-based CNS agent precursors
    • Specialty chiral pharma intermediates for oncology research

    3. Fine Chemical Synthesis for Fragrance Ingredient Manufacturing

    Fine chemical producers integrate pivaloylacetonitrile into specific reaction sequences to develop aldehyde-rich fragrance bases. It provides a stable nitrile precursor for subsequent hydrolysis and reductive transformations, generating aldehydes and alcohols used in high-end olfactory compounds for both perfumery and flavoring.

    Industry compliance standards

    • IFRA Standards (International Fragrance Association)
    • EU Regulation 1223/2009 on cosmetic products
    • ISO 9001:2015 process validation for aroma chemicals
    • US Food Contact Notification (FCN) for flavor ingredients

    Typical usage ratio

    • 0.6–1.3 molar equivalents per fragrance synthetic batch, optimized for aldehyde or alcohol yield depending on downstream product formulation and target note strength.

    Downstream process integration

    • Added to staged batch reactors at the nitrile-to-aldehyde conversion step, typically prior to mild hydrolysis followed by distillation or extraction to isolate fragrance-base alcohols and acids.

    Final product types

    • Musk and woody base fragrance compounds
    • Flavor & aroma aldehydes and alcohols (e.g., pivalyl-derived notes)
    • Custom synthetic perfume bases

    4. Custom Polymer Synthesis Modifier

    Specialty polymer compounders use pivaloylacetonitrile as a chain-branching or end-capping agent in the creation of advanced acrylate and methacrylate copolymers. Process engineers introduce it via controlled monomer feeds to influence molecular weight distribution, branching density, and thermal stability in custom resin formulations for demanding industrial coatings and adhesives.

    Industry compliance standards

    • EU REACH Regulation for polymer raw materials
    • ISO 14001:2015 Environmental Management for chemical processing
    • ASTM D256: Impact resistance for plastics
    • Customer-specific Material Safety Data Sheet (MSDS) traceability

    Typical usage ratio

    • Added at 0.2–1.1% by weight of total monomer feed, modulated to balance end-use mechanical and thermal property requirements as confirmed by batch QC analytics (DSC, GPC).

    Downstream process integration

    • Introduced mid-polymerization as a branching modifier or post-polymerization during reactive extrusion when targeting specific molecular architectures for advanced resin solutions.

    Final product types

    • UV-curable acrylate coating resins
    • High-performance pressure-sensitive adhesives
    • Specialty methacrylate polymers for electronics encapsulation
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