Cas no 101907-55-5 (1,4-dibromo-2,5-diethoxybenzene)

1,4-Dibromo-2,5-diethoxybenzene is a brominated aromatic compound featuring two ethoxy substituents at the 2- and 5-positions. This derivative of benzene is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of conjugated polymers, liquid crystals, and pharmaceuticals. The bromine atoms provide reactive sites for further functionalization via cross-coupling reactions, such as Suzuki or Heck couplings, while the ethoxy groups enhance solubility and influence electronic properties. Its well-defined structure and stability make it valuable for constructing complex molecular architectures. The compound is typically handled under inert conditions due to its sensitivity to moisture and light.
1,4-dibromo-2,5-diethoxybenzene structure
101907-55-5 structure
Product Name:1,4-dibromo-2,5-diethoxybenzene
CAS No:101907-55-5
MF:C10H12Br2O2
MW:324.009081840515
MDL:MFCD08696083
CID:1130819
PubChem ID:11232556
Update Time:2025-05-21

1,4-dibromo-2,5-diethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,4-dibromo-2,5-diethoxy-
    • 1,4-dibromo-2,5-diethoxybenzene
    • Z2408374415
    • 101907-55-5
    • C10H12Br2O2
    • 2,5-dibromohydroquinone diethyl ether
    • SCHEMBL10967724
    • G33087
    • BEA90755
    • EN300-261776
    • AKOS000282254
    • TWZPWMNAQFXRCD-UHFFFAOYSA-N
    • MDL: MFCD08696083
    • Inchi: 1S/C10H12Br2O2/c1-3-13-9-5-8(12)10(14-4-2)6-7(9)11/h5-6H,3-4H2,1-2H3
    • InChI Key: TWZPWMNAQFXRCD-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=CC=1OCC)Br)OCC

Computed Properties

  • Exact Mass: 321.92036
  • Monoisotopic Mass: 321.92040g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 148
  • 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: 4
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46

1,4-dibromo-2,5-diethoxybenzene Pricemore >>

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Additional information on 1,4-dibromo-2,5-diethoxybenzene

1,4-Dibromo-2,5-Diethoxybenzene: A Comprehensive Overview

1,4-Dibromo-2,5-diethoxybenzene, also known by its CAS registry number CAS No. 101907-55-5, is a synthetic organic compound with a unique structure that has garnered attention in various fields of chemistry and materials science. This compound is characterized by its bromine and ethoxy substituents attached to a benzene ring, making it a versatile molecule with potential applications in pharmaceuticals, agrochemicals, and advanced materials. Recent studies have highlighted its role in catalytic processes and its ability to serve as a precursor for more complex structures.

The synthesis of 1,4-dibromo-2,5-diethoxybenzene involves multi-step reactions that often begin with bromination of an aromatic compound followed by ethoxylation. Researchers have optimized these processes to enhance yield and purity, leveraging modern catalytic techniques and green chemistry principles. For instance, the use of palladium catalysts has been shown to significantly improve the efficiency of the bromination step while reducing environmental impact.

In terms of applications, 1,4-dibromo-2,5-diethoxybenzene has been explored as an intermediate in the synthesis of biologically active compounds. Its ethoxy groups provide sites for further functionalization, enabling the creation of molecules with desired pharmacological properties. Recent studies have demonstrated its utility in the development of antifungal agents and insecticides, where its bromine substituents contribute to bioactivity.

The chemical stability of CAS No. 101907-55-5 is another area of interest. Under standard conditions, the compound exhibits remarkable stability due to the electron-withdrawing effects of the bromine atoms and the electron-donating nature of the ethoxy groups. This balance makes it suitable for use in harsh chemical environments without degradation.

From a materials science perspective, 1,4-dibromo-2,5-diethoxybenzene has been investigated as a precursor for advanced polymers and high-performance composites. Its ability to undergo polymerization under controlled conditions opens avenues for the creation of materials with tailored mechanical and thermal properties.

In conclusion, CAS No. 101907-55-5, or 1,4-dibromo-2,5-diethoxybenzene, stands as a testament to the ingenuity of modern chemistry. Its versatile structure and potential applications across multiple disciplines make it a subject of ongoing research interest. As new methodologies emerge for its synthesis and application development continues to unfold, this compound is poised to play an increasingly significant role in both academic and industrial settings.

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