Cas no 896114-81-1 (Benzene, 1-ethynyl-3-(2-methoxyethoxy)-)

Benzene, 1-ethynyl-3-(2-methoxyethoxy)-, is a specialized aromatic compound featuring an ethynyl group and a methoxyethoxy side chain. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in cross-coupling reactions and as a building block for advanced materials. The ethynyl group enables facile functionalization via Sonogashira or click chemistry, while the methoxyethoxy moiety enhances solubility in polar solvents, improving processability. Its balanced electronic properties make it suitable for applications in pharmaceuticals, agrochemicals, and conjugated polymers. The compound’s stability under standard conditions ensures reliable handling and storage, supporting its use in precision synthetic workflows.
Benzene, 1-ethynyl-3-(2-methoxyethoxy)- structure
896114-81-1 structure
Product Name:Benzene, 1-ethynyl-3-(2-methoxyethoxy)-
CAS No:896114-81-1
MF:C11H12O2
MW:176.211783409119
CID:1942830
PubChem ID:71407782
Update Time:2025-11-02

Benzene, 1-ethynyl-3-(2-methoxyethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 1-ethynyl-3-(2-methoxyethoxy)benzene
    • Benzene, 1-ethynyl-3-(2-methoxyethoxy)-
    • CWIWDGOCISGEJW-UHFFFAOYSA-N
    • A1-06888
    • 3-(2-Methoxy-ethoxy)-phenylacetylene
    • DTXSID90828215
    • SCHEMBL2971332
    • DS-021770
    • 3-(2-methoxyethoxy)phenylacetylene
    • 896114-81-1
    • Inchi: 1S/C11H12O2/c1-3-10-5-4-6-11(9-10)13-8-7-12-2/h1,4-6,9H,7-8H2,2H3
    • InChI Key: CWIWDGOCISGEJW-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C#C)C=1)CCOC

Computed Properties

  • Exact Mass: 176.083729621Da
  • Monoisotopic Mass: 176.083729621Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 18.5?2

Benzene, 1-ethynyl-3-(2-methoxyethoxy)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
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896114-81-1 95%
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A2B Chem LLC
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Additional information on Benzene, 1-ethynyl-3-(2-methoxyethoxy)-

Benzene, 1-ethynyl-3-(2-methoxyethoxy)- (CAS No. 896114-81-1): A Versatile Chemical Building Block for Modern Applications

Benzene, 1-ethynyl-3-(2-methoxyethoxy)- (CAS No. 896114-81-1) is an intriguing aromatic compound that has gained significant attention in recent years due to its unique structural features and versatile applications. This specialty chemical combines a benzene core with both ethynyl and methoxyethoxy functional groups, making it a valuable intermediate in organic synthesis and material science. The compound's molecular structure offers excellent potential for creating more complex architectures through various coupling reactions, particularly in the development of advanced materials and pharmaceutical precursors.

The growing interest in functionalized benzene derivatives like 1-ethynyl-3-(2-methoxyethoxy)benzene stems from their ability to serve as key building blocks in numerous chemical transformations. Researchers have particularly focused on its applications in click chemistry reactions, where the ethynyl group can participate in copper-catalyzed azide-alkyne cycloadditions (CuAAC). This property makes it valuable for creating bioconjugates and polymer materials with tailored properties. The methoxyethoxy side chain enhances solubility in various solvents, broadening its utility in different reaction systems.

In the pharmaceutical sector, Benzene, 1-ethynyl-3-(2-methoxyethoxy)- serves as a crucial intermediate for developing novel drug candidates. Its structure allows for easy modification, enabling medicinal chemists to create diverse libraries of compounds for screening. Recent studies have explored its potential in developing targeted therapies, particularly in areas like cancer research and neurological disorders. The compound's ability to form stable linkages with biological molecules makes it particularly interesting for drug delivery systems and diagnostic agents.

Material scientists have found innovative applications for CAS 896114-81-1 in developing advanced organic electronic materials. The conjugated system of the benzene ring combined with the ethynyl group provides excellent electron transport properties, making it suitable for organic semiconductors and OLED materials. The methoxyethoxy side chain helps improve processability without significantly compromising electronic properties. These characteristics have led to its exploration in flexible electronics and solar cell technologies, addressing current demands for sustainable energy solutions.

The synthesis and handling of 1-ethynyl-3-(2-methoxyethoxy)benzene require specialized knowledge in organic chemistry techniques. Modern synthetic approaches often involve Sonogashira coupling reactions or modifications of pre-functionalized benzene derivatives. Researchers emphasize the importance of controlled reaction conditions to maintain the integrity of both the ethynyl and ether functionalities. Recent advancements in green chemistry have also explored more sustainable routes for producing this compound, aligning with the chemical industry's push toward environmentally friendly processes.

From a commercial perspective, the market for Benzene, 1-ethynyl-3-(2-methoxyethoxy)- has shown steady growth, driven by increasing demand from both pharmaceutical and material science sectors. Suppliers typically offer this compound in various purity grades, with high-purity versions (≥98%) being particularly sought after for research applications. The global supply chain has adapted to meet these specialized needs, with manufacturers implementing strict quality control measures to ensure batch-to-batch consistency. Current market trends indicate growing interest in custom synthesis services for derivatives of this compound.

Analytical characterization of 896114-81-1 typically involves a combination of techniques including NMR spectroscopy, mass spectrometry, and HPLC analysis. These methods verify the compound's identity and purity, which are critical for research applications. Recent developments in analytical technology have enabled more precise characterization of such functionalized aromatic compounds, supporting their use in sensitive applications. Researchers also employ computational methods to predict the compound's behavior in various systems, combining experimental and theoretical approaches for comprehensive understanding.

Safety considerations for handling Benzene, 1-ethynyl-3-(2-methoxyethoxy)- follow standard laboratory protocols for organic compounds. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and eye protection is recommended during handling. Storage typically involves protection from light and moisture in well-sealed containers at controlled temperatures. These precautions maintain the compound's stability and prevent degradation of its reactive functional groups, ensuring optimal performance in subsequent applications.

The future outlook for 1-ethynyl-3-(2-methoxyethoxy)benzene appears promising, with ongoing research uncovering new potential applications. Areas of particular interest include its use in supramolecular chemistry for creating complex molecular architectures and in nanotechnology applications where its size and functionality offer unique advantages. As synthetic methodologies continue to advance, we can expect to see expanded utilization of this versatile compound across multiple scientific disciplines, potentially leading to breakthroughs in materials science and medicinal chemistry.

For researchers and industry professionals seeking detailed technical information about Benzene, 1-ethynyl-3-(2-methoxyethoxy)-, comprehensive data sheets are available from chemical suppliers. These typically include specifications regarding purity, solubility characteristics, and recommended storage conditions. Many suppliers also provide custom synthesis services for related derivatives, allowing scientists to obtain tailored versions of this compound for specific research needs. The growing body of literature referencing CAS 896114-81-1 demonstrates its increasing importance in modern chemical research and development.

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