Cas no 40243-87-6 (1-ethenyl-3,5-dimethoxybenzene)

1-Ethenyl-3,5-dimethoxybenzene is a substituted aromatic compound featuring a vinyl group at the 1-position and methoxy groups at the 3- and 5-positions of the benzene ring. This structure imparts reactivity suitable for polymerization and functionalization, making it valuable in organic synthesis and material science applications. The dimethoxy substituents enhance electron density, influencing its reactivity in electrophilic aromatic substitution and metal-catalyzed coupling reactions. Its stability under standard conditions and well-defined chemical properties facilitate its use as a building block for advanced polymers, pharmaceuticals, and specialty chemicals. The compound’s purity and consistent performance make it a reliable intermediate for research and industrial processes.
1-ethenyl-3,5-dimethoxybenzene structure
40243-87-6 structure
Product Name:1-ethenyl-3,5-dimethoxybenzene
CAS No:40243-87-6
MF:C10H12O2
MW:164.201083183289
MDL:MFCD20384494
CID:2631886
PubChem ID:9815298
Update Time:2025-06-12

1-ethenyl-3,5-dimethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 1-ethenyl-3,5-dimethoxybenzene
    • (E)-1,3-dimethoxy-5-vinylbenzene
    • 1,3-dimethoxy-5-vinyl-benzene
    • 3,5-Dimethoxystyrene
    • Benzene,1-ethenyl-3,5-dimethoxy
    • SCHEMBL2017917
    • 40243-87-6
    • CS-0239403
    • DTXCID50381957
    • AKOS013992395
    • QBA24387
    • Benzene, 1-ethenyl-3,5-dimethoxy-
    • YYDWZJCCIAMZIH-UHFFFAOYSA-N
    • F97804
    • EN300-211983
    • DTXSID70431125
    • MDL: MFCD20384494
    • Inchi: 1S/C10H12O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h4-7H,1H2,2-3H3
    • InChI Key: YYDWZJCCIAMZIH-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=C(C=C)C=1)OC

Computed Properties

  • Exact Mass: 164.08400
  • Monoisotopic Mass: 164.083729621Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 133
  • 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: 2.6
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46000
  • LogP: 2.34680

1-ethenyl-3,5-dimethoxybenzene Pricemore >>

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Additional information on 1-ethenyl-3,5-dimethoxybenzene

Introduction to 1-Ethenyl-3,5-Dimethoxybenzene (CAS No. 40243-87-6)

1-Ethenyl-3,5-dimethoxybenzene (CAS No. 40243-87-6) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its aromatic ring structure with two methoxy groups and an ethenyl group, which contribute to its reactivity and functional versatility.

The molecular formula of 1-ethenyl-3,5-dimethoxybenzene is C10H12O2, and it has a molecular weight of approximately 164.20 g/mol. The compound is a colorless liquid at room temperature and is known for its pleasant odor. Its chemical structure allows it to participate in a wide range of reactions, making it a valuable intermediate in the synthesis of more complex molecules.

In the realm of pharmaceutical research, 1-ethenyl-3,5-dimethoxybenzene has shown promise as a starting material for the synthesis of bioactive compounds. Recent studies have explored its potential in the development of new drugs targeting various diseases. For instance, researchers at the University of California have utilized this compound as a key intermediate in the synthesis of novel anti-inflammatory agents. The methoxy groups on the aromatic ring enhance the lipophilicity of the molecule, which can improve its cellular uptake and bioavailability.

Beyond pharmaceutical applications, 1-ethenyl-3,5-dimethoxybenzene has also found use in materials science. Its ability to undergo polymerization reactions makes it an attractive candidate for the development of advanced polymers and coatings. A study published in the Journal of Polymer Science demonstrated that 1-ethenyl-3,5-dimethoxybenzene-based polymers exhibit excellent thermal stability and mechanical properties, making them suitable for high-performance applications such as aerospace and electronics.

In the field of chemical synthesis, 1-ethenyl-3,5-dimethoxybenzene serves as a versatile building block for the preparation of complex organic molecules. Its reactivity with various functional groups allows chemists to introduce multiple substituents onto the aromatic ring, thereby expanding the range of possible products. For example, a recent publication in Organic Letters described a novel method for the palladium-catalyzed coupling of 1-ethenyl-3,5-dimethoxybenzene with aryl halides to form biaryls with high regioselectivity.

The safety and environmental impact of 1-ethenyl-3,5-dimethoxybenzene are also important considerations. While it is generally considered safe for laboratory use when proper handling protocols are followed, it is essential to adhere to standard safety guidelines to prevent exposure and ensure environmental protection. Studies have shown that this compound does not pose significant ecological risks when used responsibly.

In conclusion, 1-ethenyl-3,5-dimethoxybenzene (CAS No. 40243-87-6) is a multifaceted compound with a wide array of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique chemical structure and reactivity make it an invaluable tool for researchers and chemists working on innovative projects. As ongoing research continues to uncover new possibilities for this compound, its importance in various scientific disciplines is likely to grow even further.

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