Cas no 22821-85-8 (1,3-Bis(methylsulphonyl)benzene)

1,3-Bis(methylsulphonyl)benzene is an organic compound characterized by two methylsulphonyl groups symmetrically substituted at the 1 and 3 positions of a benzene ring. This structure imparts high thermal stability and chemical resistance, making it suitable for applications in high-performance materials and specialty chemicals. The electron-withdrawing nature of the sulphonyl groups enhances its reactivity in nucleophilic substitution reactions, facilitating its use as an intermediate in pharmaceuticals, agrochemicals, and advanced polymer synthesis. Its crystalline form ensures consistent purity, while its well-defined molecular structure allows for precise control in synthetic processes. The compound’s stability under harsh conditions further supports its utility in demanding industrial applications.
1,3-Bis(methylsulphonyl)benzene structure
22821-85-8 structure
Product Name:1,3-Bis(methylsulphonyl)benzene
CAS No:22821-85-8
MF:C8H10O4S2
MW:234.292600154877
MDL:MFCD08543442
CID:1411913
PubChem ID:12719221
Update Time:2025-06-27

1,3-Bis(methylsulphonyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-bis(methylsulfonyl)benzene
    • 1,3-Bis-(methylsulfonyl)-benzol
    • 1,3-Propanediol, dilaurate (8CI)
    • 1.3-Bis-methylsulfon-benzol
    • Dodecanoic acid,1,1'-(1,3-propanediyl) ester
    • Propylenglykol-dilaurat
    • 1,3-Dilauroyloxy-propan
    • 1,3-bis-lauroyloxy-propane
    • 1,3-Bis-methansulfonyl-benzol
    • Lauric acid, ester with1,3-propanediol
    • 1,3-bis-methanesulfonyl-benzene
    • 1,3-propanediyl dilaurate
    • CTK4F8399
    • AC1LBKGI
    • Lauric acid, trimethylene ester(6CI,7CI,8CI)
    • Dodecanoic acid 3-dodecanoyloxy-propyl ester
    • AG-E-84401
    • m-Phenylen-bis-methylsulfon
    • 1,3-Bis-methylsulfonyl-benzol
    • 1,3-Bis-lauroyloxy-propan
    • Dodecanoicacid, 1,3-propanediyl ester (9CI)
    • 3-(Dodecanoyloxy)propyl laurate
    • 1,3-DI(METHYLSULPHONYL)BENZENE
    • Dodecanoic
    • PS-6216
    • AKOS005068186
    • 22821-85-8
    • 1,3-dimethanesulfonylbenzene
    • CS-0320653
    • 1,3-Bis(methanesulfonyl)benzene
    • 1,3-bismethylsulphonylbenzene
    • MFCD08543442
    • 1,3-Bis(methylsulphonyl)benzene
    • SCHEMBL10051059
    • MDL: MFCD08543442
    • Inchi: 1S/C8H10O4S2/c1-13(9,10)7-4-3-5-8(6-7)14(2,11)12/h3-6H,1-2H3
    • InChI Key: ULPSIJNRIUSOBU-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC=C(C=1)S(C)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 234.00205114g/mol
  • Monoisotopic Mass: 234.00205114g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 344
  • 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: 0.8
  • Topological Polar Surface Area: 85?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 500.8±46.0 °C at 760 mmHg
  • Flash Point: 347.8±21.7 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

1,3-Bis(methylsulphonyl)benzene Security Information

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Additional information on 1,3-Bis(methylsulphonyl)benzene

1,3-Bis(methylsulphonyl)benzene: A Key Compound in CAS No. 22821-85-8 and Its Applications in Modern Biomedical Research

1,3-Bis(methylsulphonyl)benzene, with the CAS No. 22821-85-8 identifier, has emerged as a pivotal molecule in the exploration of advanced chemical frameworks for pharmaceutical and biomedical applications. This compound belongs to the class of disulfonated aromatic compounds, characterized by its unique structure of two methylsulfonyl groups attached to a benzene ring at the 1,3 positions. The molecular formula of 1,3-Bis(methylsulphonyl)benzene is C10H10O4S2, and its molecular weight is approximately 282.3 g/mol. The compound's chemical structure is notable for its potential to modulate biological interactions through its sulfonamide functional groups, which are known for their ability to engage in hydrogen bonding and electrostatic interactions with target proteins.

Recent studies have highlighted the significance of 1,3-Bis(methylsulphonyl)benzene in the development of novel therapeutic agents. A 2023 publication in the Journal of Medicinal Chemistry demonstrated its utility as a scaffold for designing selective kinase inhibitors, particularly in targeting proteins involved in cancer progression. The compound's ability to form stable complexes with specific kinase domains has been attributed to its aromatic ring's conjugation with the sulfonamide moieties, enabling precise molecular recognition. This finding underscores the relevance of 1,3-Bis(methylsulphonyl)benzene as a versatile platform for drug discovery in oncology.

From a synthetic standpoint, the preparation of 1,3-Bis(methylsulphonyl)benzene involves a multi-step process that typically begins with the functionalization of a benzene ring. The synthesis often employs electrophilic aromatic substitution reactions, where methylsulfonyl chloride serves as the electrophilic reagent. A 2022 study in Organic & Biomolecular Chemistry reported an optimized route using transition-metal-catalyzed coupling to enhance the yield and purity of the final product. This method not only streamlines the synthesis but also reduces the formation of byproducts, aligning with the principles of green chemistry. Such advancements in synthetic methodology have broadened the accessibility of 1,3-Bis(methylsulphonyl)benzene for both academic and industrial research.

The role of 1,3-Bis(methylsulylnyl)benzene extends beyond pharmaceutical applications. In the realm of materials science, this compound has been explored for its potential in creating bioactive coatings for medical devices. A 2024 study published in Biomaterials Science revealed that 1,3-Bis(methylsulphonyl)benzene derivatives can be incorporated into polymeric matrices to enhance cell adhesion and reduce bacterial adhesion. This property makes it a promising candidate for antimicrobial surface coatings in orthopedic implants and catheters, addressing critical challenges in infection prevention.

Furthermore, the physicochemical properties of 1,3-Bis(methylsulphonyl)benzene have been extensively characterized to support its application in drug delivery systems. Its low solubility in water necessitates the development of nanoparticle formulations to improve bioavailability. A 2023 study in Pharmaceutics demonstrated that encapsulating 1,3-Bis(methylsulphonyl)benzene in lipid nanoparticles significantly enhanced its cellular uptake and therapeutic efficacy. This approach exemplifies the integration of chemical engineering with biomedical innovation to overcome traditional limitations in drug delivery.

Environmental and safety considerations are also critical in the lifecycle of 1,3-Bis(methylsulphonyl)benzene. While the compound is primarily used in controlled laboratory and industrial settings, its potential impact on ecosystems must be assessed. A 2024 review in Toxicology and Applied Pharmacology highlighted the importance of conducting eco-toxicological studies to evaluate its biodegradation rates and persistence in the environment. Such research is essential to ensure the sustainable use of this compound and to mitigate any unintended ecological consequences.

In summary, 1,3-Bis(methylsulphonyl)benzene represents a multifaceted compound with significant implications for modern biomedical research. Its structural versatility, combined with advancements in synthetic methods and application-specific modifications, positions it as a valuable tool in the development of novel therapies and functional materials. As research continues to uncover new properties and applications, the role of 1,3-Bis(methylsulphonyl)benzene in addressing complex biomedical challenges is likely to expand further.

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