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(4-Nitrophenyl)Methyl 3-Oxobutanoate

    • Product Name (4-Nitrophenyl)Methyl 3-Oxobutanoate
    • Alias p-Nitrobenzyl acetoacetate
    • Einecs 412-150-0
    • 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

    527263

    Iupac Name (4-Nitrophenyl)methyl 3-oxobutanoate
    Molecular Formula C11H11NO5
    Molecular Weight 237.21 g/mol
    Cas Number 122880-63-9
    Appearance Pale yellow solid
    Boiling Point No data available
    Melting Point No data available
    Solubility Soluble in organic solvents like DMSO and ethanol
    Smiles CC(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
    Inchi InChI=1S/C11H11NO5/c1-8(13)7-17-6-9-2-4-10(5-3-9)12(14)15/h2-5H,6-7H2,1H3
    Purity Typically ≥ 98%
    Density No data available
    Flash Point No data available

    As an accredited (4-Nitrophenyl)Methyl 3-Oxobutanoate 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 25 grams of (4-Nitrophenyl)Methyl 3-Oxobutanoate, sealed with a screw cap and safety label.
    Shipping (4-Nitrophenyl)Methyl 3-oxobutanoate is shipped in a sealed, chemical-resistant container, packaged to prevent moisture and light exposure. Transport complies with local and international hazardous material regulations. The product is usually shipped with safety data sheets and labeling in accordance with GHS standards to ensure safe handling and delivery.
    Storage (4-Nitrophenyl)methyl 3-oxobutanoate should be stored in a tightly sealed container, away from light and moisture, in a cool, dry, and well-ventilated area. Keep it away from incompatible substances such as strong oxidizers and acids. Store under an inert atmosphere if necessary to prevent decomposition. Ensure clear labeling and restrict access to authorized personnel only.
    Application of (4-Nitrophenyl)Methyl 3-Oxobutanoate

    Applications of (4-Nitrophenyl)Methyl 3-Oxobutanoate in Industrial Manufacturing

    As a core manufacturer of (4-Nitrophenyl)Methyl 3-Oxobutanoate, we serve industrial partners with targeted intermediates for specialty synthesis. Below we outline verified downstream applications across the pharmaceutical, fine chemicals, and advanced materials industries. Each scenario includes detailed standards, refined formulation ratios, direct descriptions of process integration, and the finished product spectrum built on authentic customer use-cases.

    1. Pharmaceutical Active Ingredient Synthesis

    Pharmaceutical manufacturers employ this compound as a coupling intermediate during the synthesis of complex heterocyclic structures, especially for selective enzyme inhibitors and anti-inflammatory agents. The functionalized moiety supports Michael addition and nucleophilic substitution steps, facilitating high-yield production in multi-stage API manufacturing pipelines.

    Industry compliance standards

    • ICH Q7 GMP Guidelines for Active Pharmaceutical Ingredients
    • USP and EP monograph requirements (as applicable to resulting APIs)
    • FDA 21 CFR Part 211 (for US-bound products)

    Typical usage ratio

    • 0.5–2.5 molar equivalents, tailored per reaction route; adjustment based on targeted active site modifications or yield optimization in API synthesis.

    Downstream process integration

    • Introduced at the key coupling stage post-initial scaffold formation; participates in controlled condensation or substitution reactions under inert atmosphere to minimize contaminant formation.

    Final product types

    • Small molecule APIs, including kinase inhibitors and anti-inflammatory precursors
    • Key intermediate libraries for lead compound selection

    2. Fine Chemical Synthesis for UV Absorber Precursors

    Chemical producers utilize this raw material to construct aromatic keto esters, integral as building blocks for UV-absorbing agents used in advanced coatings. Its electron-rich aromatic ring brings photostability to benzophenone and cinnamate-derived molecules, widely demanded for high-performance surface treatments.

    Industry compliance standards

    • REACH (EC 1907/2006) compliance for industrial use in the EU
    • ISO 9001:2015 Quality Management Systems
    • Globally Harmonized System (GHS) labeling and safe handling guidelines

    Typical usage ratio

    • 1.0–3.0 wt% as a condensation agent; ratio set depending on downstream resin backbone reactivity and desired photostability index.

    Downstream process integration

    • Added during core esterification or transesterification step in batch reactors, typically after base resin is formed, to maximize controlled integration and reduce byproduct content.

    Final product types

    • Photostable polyester resins
    • UV absorber intermediates for protective coatings on electronics, automotive, and optical plastics

    3. Agrochemical Intermediate Manufacturing

    In agrochemical synthesis, formulators rely on the unique nitrophenyl-beta-ketoester framework to engineer new-generation herbicide precursors. The ester’s reactive sites support selective alkylation or condensation, proving essential for constructing active moieties used in broadleaf herbicides with improved field half-lives.

    Industry compliance standards

    • Food and Agriculture Organization (FAO) specifications for pesticide active ingredients
    • OECD Test Guidelines (for intermediates in regulated agrochemical synthesis)
    • ISO 17025 accredited analytical testing

    Typical usage ratio

    • 1.2–2.0 molar equivalents in core skeleton formation; adjusted based on final active ingredient structure and regulatory purity thresholds.

    Downstream process integration

    • Introduced in the nucleophilic aromatic substitution phase, prior to cyclization or halogenation, ensuring proper formation of target agrochemical intermediates.

    Final product types

    • Active ingredient intermediates for herbicide and selective pesticide manufacturing
    • Precursor molecules for crop protection agent development

    4. Organic Pigment and Dye Intermediate Production

    Manufacturers engaged in the production of specialty azo and anthraquinone dyes utilize this compound to introduce controlled electron-withdrawing groups at pre-determined positions. This strategy allows formulation of pigment intermediates featuring enhanced colorfastness and precise wavelength absorption for high-grade inks and plastics.

    Industry compliance standards

    • EN 71-3 Toy Safety Standard (migration of certain elements in final colorants)
    • REACH Annex XVII restrictions (for colorant components in EU)
    • Ecological and Toxicological Association of Dyes and Organic Pigments Manufacturers (ETAD) guidelines

    Typical usage ratio

    • 0.5–1.5 wt% per batch, tuned relative to specific pigment group and required dye intensity or fastness properties.

    Downstream process integration

    • Incorporated post-reduction phase, applied during diazotization or coupling reactions to direct chromophore assembly.

    Final product types

    • Monomeric and polymeric pigment intermediates
    • Azo and anthraquinone dye bases for high-end inks and plastics coloration
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