Cas no 5030-61-5 (2,3-Dibromo-1,4-dimethoxybenzene)

2,3-Dibromo-1,4-dimethoxybenzene is a brominated aromatic compound featuring two methoxy groups at the 1 and 4 positions and bromine substituents at the 2 and 3 positions. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in the preparation of complex aromatic systems. The electron-donating methoxy groups enhance its utility in electrophilic substitution reactions, while the bromine atoms provide sites for cross-coupling reactions, such as Suzuki or Stille couplings. Its crystalline solid form and defined molecular weight (295.94 g/mol) ensure consistent handling and stoichiometric precision in synthetic applications. Suitable for use in pharmaceuticals, agrochemicals, and materials science research.
2,3-Dibromo-1,4-dimethoxybenzene structure
5030-61-5 structure
Product Name:2,3-Dibromo-1,4-dimethoxybenzene
CAS No:5030-61-5
MF:C8H8Br2O2
MW:295.955921173096
MDL:MFCD11519213
CID:830423
Update Time:2025-05-23

2,3-Dibromo-1,4-dimethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 2,3-Dibromo-1,4-dimethoxybenzene
    • 1,4-DiMethoxy-2,3-dibroMobenzene
    • 2,3-Dibrom-hydrochinon-dimethylaether
    • AG-F-68996
    • AGN-PC-002VCP
    • AK136509
    • CTK4J2418
    • LS00049
    • PubChem11890
    • BENZENE, 2,3-DIBROMO-1,4-DIMETHOXY-
    • 9539AF
    • FCH1324705
    • AS05694
    • CM12183
    • BC003618
    • 2,3-bis(bromanyl)-1,4-dimethoxy-benzene
    • AX8258077
    • ST24038505
    • A828058
    • MDL: MFCD11519213
    • Inchi: 1S/C8H8Br2O2/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-4H,1-2H3
    • InChI Key: VKYGKMRHYONFBP-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=CC=1OC)OC)Br

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 127
  • Topological Polar Surface Area: 18.5

Experimental Properties

  • Density: 1.742±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 154-158 oC
  • Boiling Point: 296.5±35.0 oC (760 Torr),
  • Flash Point: 118.9±24.4 oC,
  • Solubility: Very slightly soluble (0.26 g/l) (25 o C),

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Additional information on 2,3-Dibromo-1,4-dimethoxybenzene

2,3-Dibromo-1,4-dimethoxybenzene: A Comprehensive Overview

The compound 2,3-Dibromo-1,4-dimethoxybenzene, also known by its CAS number CAS No. 5030-61-5, is a significant organic compound with a unique structure and diverse applications. This compound belongs to the class of brominated aromatic compounds, which have garnered considerable attention in various fields due to their versatile properties and reactivity.

The molecular structure of 2,3-Dibromo-1,4-dimethoxybenzene consists of a benzene ring substituted with two bromine atoms at positions 2 and 3 and two methoxy groups at positions 1 and 4. This substitution pattern imparts specific electronic and steric effects on the molecule, making it highly reactive in certain chemical transformations. The presence of bromine atoms also contributes to its potential use in various synthetic pathways and material science applications.

Recent studies have highlighted the importance of brominated aromatic compounds like 2,3-Dibromo-1,4-dimethoxybenzene in the development of advanced materials. For instance, researchers have explored the use of this compound as a precursor in the synthesis of high-performance polymers and organic semiconductors. The ability of this compound to undergo nucleophilic aromatic substitution reactions has been particularly valuable in designing materials with tailored electronic properties.

In addition to its role in materials science, 2,3-Dibromo-1,4-dimethoxybenzene has also been investigated for its potential in pharmaceutical applications. The bromine atoms in the molecule can serve as leaving groups in substitution reactions, enabling the synthesis of bioactive compounds with complex architectures. Recent advancements in medicinal chemistry have demonstrated the utility of this compound in the development of novel drug candidates targeting various diseases.

The synthesis of 2,3-Dibromo-1,4-dimethoxybenzene typically involves multi-step processes that include electrophilic aromatic substitution and halogenation reactions. Researchers have optimized these processes to achieve higher yields and better purity levels. For example, a study published in 2023 reported a novel method for synthesizing this compound using a combination of Friedel-Crafts alkylation and bromination steps under mild conditions.

The physical properties of 2,3-Dibromo-1,4-dimethoxybenzene, such as its melting point and solubility, are critical factors that influence its application potential. Experimental data indicate that this compound has a melting point of approximately 85°C and is soluble in common organic solvents like dichloromethane and ethyl acetate. These properties make it suitable for use in various chemical reactions and formulations.

In terms of environmental impact, the stability and biodegradability of 2,3-Dibromo-1,4-dimethoxybenzene are areas of ongoing research interest. Studies have shown that this compound exhibits moderate persistence in aqueous environments under certain conditions. However, further investigations are required to fully understand its environmental fate and potential risks.

In conclusion, 2,3-Dibromo-1,4-dimethoxybenzene is a versatile compound with significant potential across multiple disciplines. Its unique structure and reactivity make it an invaluable tool in synthetic chemistry, materials science, and pharmaceutical research. As new applications continue to emerge from cutting-edge studies, this compound is expected to play an increasingly important role in advancing scientific innovation.

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