Cas no 6462-29-9 (Benzene, 1,4-dimethyl-2-(methylsulfonyl)-)

Benzene, 1,4-dimethyl-2-(methylsulfonyl)- is a substituted aromatic compound featuring a methylsulfonyl group at the 2-position and methyl groups at the 1,4-positions. This structure imparts unique electronic and steric properties, making it valuable in synthetic organic chemistry, particularly as an intermediate in pharmaceuticals and agrochemicals. The methylsulfonyl moiety enhances reactivity in nucleophilic substitution and cross-coupling reactions, while the dimethyl substitution pattern contributes to controlled regioselectivity. Its stability under various conditions allows for versatile applications in multi-step syntheses. The compound’s well-defined molecular architecture also facilitates studies in structure-activity relationships and material science.
Benzene, 1,4-dimethyl-2-(methylsulfonyl)- structure
6462-29-9 structure
Product Name:Benzene, 1,4-dimethyl-2-(methylsulfonyl)-
CAS No:6462-29-9
MF:C9H12O2S
MW:184.255381584167
CID:420944
PubChem ID:2758617
Update Time:2025-06-14

Benzene, 1,4-dimethyl-2-(methylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,4-dimethyl-2-(methylsulfonyl)-
    • 1,4-dimethyl-2-methylsulfonylbenzene
    • 2,5-DIMETHYLPHENYLMETHYLSULFONE
    • 2-methanesulfonyl-1,4-dimethylbenzene
    • 6462-29-9
    • AKOS006228325
    • FS-1595
    • SCHEMBL801935
    • 2,5-dimethylphenyl methyl sulfone
    • WDIWSBKKOOKBJR-UHFFFAOYSA-N
    • 1,4-dimethyl-2-(methylsulfonyl)- Benzene
    • DTXSID20374417
    • 1,4-dimethyl-2-(methylsulfonyl)benzene
    • MDL: MFCD03789176
    • Inchi: 1S/C9H12O2S/c1-7-4-5-8(2)9(6-7)12(3,10)11/h4-6H,1-3H3
    • InChI Key: WDIWSBKKOOKBJR-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=C(C)C=CC=1C)(=O)=O

Computed Properties

  • Exact Mass: 184.05586
  • Monoisotopic Mass: 184.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 238
  • 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: 1.9
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14

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Additional information on Benzene, 1,4-dimethyl-2-(methylsulfonyl)-

Comprehensive Overview of Benzene, 1,4-dimethyl-2-(methylsulfonyl)- (CAS No. 6462-29-9)

Benzene, 1,4-dimethyl-2-(methylsulfonyl)- (CAS No. 6462-29-9) is a specialized organic compound that has garnered significant attention in industrial and research applications due to its unique chemical properties. This compound, often referred to by its systematic name, belongs to the class of sulfonyl-substituted benzene derivatives. Its molecular structure features a benzene ring with methyl groups at the 1 and 4 positions and a methylsulfonyl group at the 2 position, making it a valuable intermediate in synthetic chemistry.

In recent years, the demand for sulfonyl-containing compounds like Benzene, 1,4-dimethyl-2-(methylsulfonyl)- has surged, driven by their utility in pharmaceuticals, agrochemicals, and advanced material science. Researchers are particularly interested in its potential as a building block for drug discovery and catalyst design. The compound's electron-withdrawing sulfonyl group enhances its reactivity, enabling precise modifications in synthetic pathways. This aligns with the growing trend of green chemistry, where efficiency and sustainability are prioritized.

One of the most frequently searched questions about Benzene, 1,4-dimethyl-2-(methylsulfonyl)- revolves around its synthesis methods and applications. Modern synthetic routes often involve the oxidation of corresponding thioethers or the direct sulfonylation of dimethylbenzene derivatives. These methods are optimized for high yield and minimal environmental impact, addressing the global push toward sustainable chemical production. Additionally, the compound's role in polymer chemistry and electronic materials has sparked interest, as it contributes to the development of high-performance polymers and conductive films.

The thermal stability and solubility of Benzene, 1,4-dimethyl-2-(methylsulfonyl)- make it suitable for diverse formulations. Its compatibility with polar and non-polar solvents expands its use in coating technologies and adhesive systems. Industry professionals often inquire about its handling and storage guidelines, emphasizing the need for proper ventilation and inert atmospheres to maintain its integrity. These practical considerations are critical for ensuring safety and performance in industrial settings.

From an analytical perspective, Benzene, 1,4-dimethyl-2-(methylsulfonyl)- is characterized using advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods confirm its purity and structural identity, which are essential for quality control in manufacturing. The compound's spectral data is widely documented, aiding researchers in its identification and application. This transparency supports the reproducibility of experiments, a key concern in academic and industrial research.

Looking ahead, the versatility of Benzene, 1,4-dimethyl-2-(methylsulfonyl)- positions it as a key player in emerging technologies. Its potential in renewable energy applications, such as battery electrolytes and solar cell materials, is under exploration. As the scientific community continues to innovate, this compound is likely to play a pivotal role in addressing challenges related to energy storage and environmental sustainability. Its adaptability and functional groups make it a promising candidate for future breakthroughs.

In summary, Benzene, 1,4-dimethyl-2-(methylsulfonyl)- (CAS No. 6462-29-9) is a multifaceted compound with broad applicability across multiple industries. Its synthesis, properties, and applications are subjects of ongoing research, reflecting its importance in modern chemistry. By leveraging its unique characteristics, scientists and engineers can drive advancements in material science, pharmaceuticals, and sustainable technologies, ensuring its relevance in the years to come.

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