Cas no 77665-04-4 (BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL-)

Benzene, 2-bromo-1-methoxy-3,5-dimethyl-, is a brominated aromatic compound featuring methoxy and dimethyl substituents. Its molecular structure, characterized by the bromine atom at the 2-position and methoxy group at the 1-position, lends itself to applications in organic synthesis, particularly as an intermediate in the preparation of more complex molecules. The electron-donating methoxy and methyl groups influence its reactivity, making it useful in electrophilic substitution reactions. This compound is valued for its stability and predictable reactivity patterns, which are advantageous in fine chemical and pharmaceutical manufacturing. Proper handling is essential due to its potential toxicity and flammability.
BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- structure
77665-04-4 structure
Product Name:BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL-
CAS No:77665-04-4
MF:C9H11BrO
MW:215.087042093277
CID:3370591
PubChem ID:11310439
Update Time:2025-05-27

BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL-
    • 2-Bromo-1-methoxy-3,5-dimethylbenzene
    • 77665-04-4
    • Inchi: 1S/C9H11BrO/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,1-3H3
    • InChI Key: CGSXBLHVCONZKV-UHFFFAOYSA-N
    • SMILES: C1(OC)=CC(C)=CC(C)=C1Br

Computed Properties

  • Exact Mass: 213.99933Da
  • Monoisotopic Mass: 213.99933Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 127
  • 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: 3.3
  • Topological Polar Surface Area: 9.2?2

BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- Pricemore >>

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Additional information on BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL-

Research Briefing on BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- (CAS: 77665-04-4) in Chemical and Biomedical Applications

The compound BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- (CAS: 77665-04-4) has recently garnered significant attention in the field of chemical and biomedical research due to its unique structural properties and potential applications. This briefing synthesizes the latest findings on this compound, focusing on its synthesis, characterization, and emerging roles in drug discovery and material science.

Recent studies have highlighted the compound's utility as a versatile intermediate in organic synthesis. Its brominated and methoxylated benzene ring structure makes it a valuable precursor for the development of more complex molecules, particularly in the synthesis of pharmaceuticals and agrochemicals. Researchers have successfully employed 77665-04-4 in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, to construct biologically active compounds with enhanced efficacy and selectivity.

In the biomedical domain, preliminary investigations suggest that derivatives of BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- exhibit promising pharmacological properties. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that modified versions of this compound show moderate inhibitory activity against certain kinase enzymes implicated in cancer progression. While further optimization is required, these findings open new avenues for the development of targeted therapies.

The compound's physicochemical properties have also been extensively characterized. Advanced spectroscopic techniques, including NMR and mass spectrometry, have confirmed its structural integrity and purity. These analyses are crucial for ensuring reproducibility in research and potential industrial applications. Additionally, computational studies have provided insights into the compound's electronic structure and reactivity patterns, facilitating more efficient synthetic strategies.

From a safety perspective, recent toxicological assessments indicate that BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- requires careful handling due to its potential irritant properties. Proper personal protective equipment and ventilation are recommended when working with this compound in laboratory settings. However, its environmental persistence and biodegradation pathways remain areas requiring further investigation.

Looking forward, researchers are exploring the compound's potential in materials science applications. Its aromatic structure and functional groups make it a candidate for incorporation into advanced polymers and liquid crystalline materials. Several patents filed in 2024 suggest growing industrial interest in these applications, particularly in the development of specialty chemicals with tailored properties.

In conclusion, BENZENE, 2-BROMO-1-METHOXY-3,5-DIMETHYL- (77665-04-4) represents a compound of significant research interest across multiple disciplines. Its dual role as a synthetic building block and potential bioactive scaffold positions it as a valuable asset in both academic and industrial research settings. Continued investigation into its properties and applications is expected to yield further breakthroughs in the coming years.

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