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1-Phenyl-1-Butyne

    • Product Name 1-Phenyl-1-Butyne
    • Alias Phenylbutyne
    • Einecs 211-516-9
    • 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
    VTB
    Specifications

    HS Code

    993457

    Iupac Name 1-Phenyl-1-butyne
    Molecular Formula C10H10
    Molecular Weight 130.19 g/mol
    Cas Number 766-97-2
    Appearance Colorless to pale yellow liquid
    Boiling Point 192-194 °C
    Density 0.93 g/mL at 25°C
    Melting Point -51 °C
    Refractive Index 1.545-1.547
    Flash Point 66 °C
    Smiles CCCC#Cc1ccccc1
    Pubchem Cid 69919

    As an accredited 1-Phenyl-1-Butyne factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle, 100 mL, with secure screw cap; white chemical-resistant label detailing "1-Phenyl-1-Butyne," CAS number, and hazard symbols.
    Shipping 1-Phenyl-1-Butyne is shipped in tightly sealed containers, protected from light and moisture, and typically stored at room temperature. Ensure containers are clearly labeled and handled in accordance with hazardous materials regulations. Transport must comply with local, national, and international chemical shipping guidelines to ensure safety and prevent leaks or spills.
    Storage 1-Phenyl-1-Butyne should be stored in a cool, dry, and well-ventilated area, away from sources of ignition or heat. Keep the container tightly closed and protect it from light and moisture. Store separately from oxidizing agents, acids, and strong bases. Use appropriate chemical storage cabinets and ensure proper labeling to prevent accidental mixing or exposure.
    Application of 1-Phenyl-1-Butyne

    Applications of 1-Phenyl-1-Butyne in Industrial Manufacturing

    As a direct manufacturer of 1-Phenyl-1-Butyne, we serve multiple industrial customers who utilize this intermediate in specialized chemical and pharmaceutical syntheses. The following sections detail real downstream application areas, focusing exclusively on accurately documented use cases and their specific process requirements.

    1. Synthesis of Pharmaceutical Intermediates for Antineoplastic Agents

    Several pharmaceutical manufacturers employ 1-Phenyl-1-Butyne as a key alkyne building block in developing intermediates for targeted antitumor compounds, including kinase inhibitors and other small-molecule cancer therapeutics. Downstream synthesis processes leverage its terminal alkyne reactivity in coupling and cyclization steps, vital for API core structure assembly.

    Industry compliance standards

    • ICH Q7: Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients
    • EU GMP Part II
    • US FDA 21 CFR Parts 210/211
    • Chinese Pharmacopoeia (when used for APIs marketed in China)

    Typical usage ratio

    • 5–15 mol% relative to key intermediates in coupling reactions; final ratio depends on the molar excess required for complete terminal alkyne conversion and the specific API synthesis route.

    Downstream process integration

    • Reaction step input for Sonogashira coupling or similar alkyne addition in multi-step synthesis of heterocyclic or biaryl intermediates; integrated during controlled batch additions with in-process GC or HPLC verification.

    Final product types

    • Crude or purified pharmaceutical intermediates
    • Active pharmaceutical ingredients (APIs) for oncology drugs
    • Chemical reference standards for medicinal chemistry R&D

    2. Agrochemical Development: Synthesis of Herbicidal Building Blocks

    Contract pesticide producers incorporate 1-Phenyl-1-Butyne into multi-step syntheses to obtain intermediates for selective herbicides. Its alkyne function facilitates aromatic substitution or ring-closure during laboratory development and pilot-scale batch manufacturing.

    Industry compliance standards

    • FAO/WHO Technical Specifications for Plant Protection Products
    • ISO 9001:2015 for quality management in agrochemical production
    • REACH Registration, as applicable for European markets
    • OECD principles of Good Laboratory Practice (GLP) for field-testing and residue studies

    Typical usage ratio

    • 2–8 mol% relative to target aromatic precursor, adjusted according to batch yield and process optimization in pilot versus full-scale synthesis

    Downstream process integration

    • Alkyne incorporation into aromatic rings by palladium-catalyzed cross-coupling; introduced post-initial aromatic nitration or chlorination to form the active herbicide intermediate

    Final product types

    • Herbicidal intermediate compounds
    • Technical-grade crop protection active ingredients
    • Pre-formulation agents for liquid and granular herbicides

    3. Organic Electronic Material Precursors: OLED and Organic Semiconductor Manufacture

    Producers of specialty organic electronic materials utilize 1-Phenyl-1-Butyne as a precursor in synthesizing π-conjugated systems for optoelectronic applications. Its role in constructing extended aromatic scaffolds is critical when fabricating specialized intermediates for organic light-emitting diodes and field-effect transistors.

    Industry compliance standards

    • IPC/IEC 61249-2-45 for materials in electronic assemblies
    • ISO 14001 Environmental Management (mandatory for electronic chemical processing in several countries)
    • RoHS Directive (for downstream eventual device manufacture in EU)

    Typical usage ratio

    • 3–12 mol% based on the conjugated backbone length and yield optimization in cross-coupling or cyclotrimerization steps, typically lower on scale-up to reduce purification demands

    Downstream process integration

    • Starting material for formation of arylalkyne bridges or terminal caps in Suzuki or Sonogashira reactions during organic semiconducting material synthesis; introduced after core backbone precursors are prepared

    Final product types

    • OLED emitter and electron transport materials
    • Organic field-effect transistor (OFET) semiconductors
    • Small-molecule hole-transport layers

    4. Fragrance and Aroma Chemical Synthesis for Specialty Perfumeries

    Advanced fragrance ingredient suppliers selectively use 1-Phenyl-1-Butyne to generate aromatic aldehyde intermediates and rare musky or floral odorants by specific cyclization reactions. Its application allows for the creation of unique perfumery notes not attainable via traditional hydrocarbons or saturated systems.

    Industry compliance standards

    • IFRA Code of Practice and Standards for Fragrance Ingredients
    • EU REACH (for registration and safe handling of specialty aroma chemicals)
    • ISO 9235:2013 (Aromatic Natural Raw Materials and Isolates)

    Typical usage ratio

    • 1–5 mol% relative to aldehyde or ketone precursors, adjusted for batch aroma intensity and selectivity of cyclization pathways; strictly limited to process validation trials for new product releases

    Downstream process integration

    • Added as a core synthesis intermediate for cyclization reactions during fragrance molecule construction, prior to distillation and olfactory evaluation; reaction conditions optimized for selectivity over multiple isomerization routes

    Final product types

    • Unique perfumery intermediates with modified aromatic profiles
    • High-value aroma compounds for fine fragrance and luxury personal care products
    • Trace specialty odorants for food and beverage flavor houses (subject to GRAS determination)
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