Cas no 96693-04-8 (Benzene, 1-butoxy-4-iodo-)

Benzene, 1-butoxy-4-iodo- structure
Benzene, 1-butoxy-4-iodo- structure
Product Name:Benzene, 1-butoxy-4-iodo-
CAS No:96693-04-8
MF:C10H13IO
MW:276.114095449448
CID:751345
PubChem ID:11637656
Update Time:2025-04-23

Benzene, 1-butoxy-4-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-butoxy-4-iodo-
    • 1-butoxy-4-iodobenzene
    • 4-Iodo-1-butoxybenzene
    • FS-5700
    • CS-0152084
    • 4-butoxyiodobenzene
    • 96693-04-8
    • 1-Iodo-4-butoxybenzene
    • AKOS009076425
    • SCHEMBL92662
    • QMEHOMNBEJNMHD-UHFFFAOYSA-N
    • DTXSID30469843
    • E76599
    • MFCD09878143
    • MDL: MFCD09878143
    • Inchi: 1S/C10H13IO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3
    • InChI Key: QMEHOMNBEJNMHD-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)OCCCC

Computed Properties

  • Exact Mass: 276.00111g/mol
  • Monoisotopic Mass: 276.00111g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 108
  • 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: 3.9
  • Topological Polar Surface Area: 9.2?2

Benzene, 1-butoxy-4-iodo- Pricemore >>

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Additional information on Benzene, 1-butoxy-4-iodo-

Compound CAS No. 96693-04-8: Benzene, 1-butoxy-4-iodo

Benzene, 1-butoxy-4-iodo, also known by its CAS number 96693-04-8, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound is a derivative of benzene, featuring a butoxy group at the para position and an iodine atom at the meta position. Its structure and properties make it a valuable intermediate in the synthesis of advanced materials and pharmaceutical compounds.

The synthesis of Benzene, 1-butoxy-4-iodo typically involves nucleophilic substitution reactions or coupling processes. Recent studies have highlighted the use of palladium-catalyzed cross-coupling reactions to efficiently synthesize this compound. For instance, researchers have demonstrated that the Suzuki-Miyaura coupling reaction can be employed to introduce the butoxy group onto the benzene ring with high regioselectivity. This method not only enhances the yield but also reduces the formation of by-products, making it a preferred approach in modern organic synthesis.

In terms of physical properties, Benzene, 1-butoxy-4-iodo exhibits a melting point of approximately 78°C and a boiling point around 215°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and ethyl acetate makes it suitable for various solution-based reactions. The presence of the iodine atom imparts unique electronic properties to the molecule, enabling it to participate in electrophilic aromatic substitution reactions with ease.

The application of Benzene, 1-butoxy-4-iodo spans across multiple disciplines. In pharmaceutical chemistry, this compound serves as an intermediate in the synthesis of bioactive molecules targeting various therapeutic areas. For example, recent research has focused on its use in developing anti-inflammatory agents and anticancer drugs. The butoxy group enhances the lipophilicity of the molecule, which is crucial for drug delivery and bioavailability.

In materials science, Benzene, 1-butoxy-4-iodo is employed as a precursor for synthesizing advanced polymers and functional materials. Its ability to undergo polymerization under controlled conditions has led to its use in creating high-performance polymers with tailored properties. For instance, researchers have utilized this compound to develop thermally stable polymers for aerospace applications.

Recent advancements in green chemistry have also explored the use of Benzene, 1-butoxy-4-iodo in environmentally friendly synthetic pathways. By incorporating biodegradable solvents and catalysts, scientists have developed sustainable methods for synthesizing this compound on an industrial scale. These innovations not only reduce environmental impact but also lower production costs.

In conclusion, Benzene, 1-butoxy-4-iodo (CAS No. 96693-04-8) is a multifaceted compound with wide-ranging applications in organic synthesis, pharmaceuticals, and materials science. Its unique structure and reactivity make it an essential building block for developing advanced materials and bioactive molecules. As research continues to uncover new synthetic methods and applications, this compound is poised to play an even more significant role in shaping future innovations across various industries.

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