Cas no 254887-17-7 (4-Bromo-1-methyl-2-(methylsulfonyl)benzene)

4-Bromo-1-methyl-2-(methylsulfonyl)benzene is a brominated aromatic compound featuring a methylsulfonyl substituent, which enhances its reactivity in organic synthesis. The presence of both bromine and methylsulfonyl groups makes it a versatile intermediate for cross-coupling reactions, nucleophilic substitutions, and other transformations in pharmaceutical and agrochemical applications. Its well-defined structure ensures consistent performance in synthetic pathways, while the electron-withdrawing sulfonyl group can influence regioselectivity in further functionalizations. The compound is typically supplied in high purity, ensuring reliable results in research and industrial processes. Its stability under standard storage conditions further contributes to its utility as a building block in complex molecule synthesis.
4-Bromo-1-methyl-2-(methylsulfonyl)benzene structure
254887-17-7 structure
Product Name:4-Bromo-1-methyl-2-(methylsulfonyl)benzene
CAS No:254887-17-7
MF:C8H9BrO2S
MW:249.124860525131
MDL:MFCD04037925
CID:246750
PubChem ID:2761056
Update Time:2025-10-19

4-Bromo-1-methyl-2-(methylsulfonyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,4-bromo-1-methyl-2-(methylsulfonyl)-
    • 4-bromo-1-methyl-2-(methylsulfonyl)benzene
    • 1-bromo-3-methanesulfonyl-4-methylbenzene
    • 4-bromo-1-methyl-2-(methylsulphonyl)benzene
    • 4-bromo-2-methanesulfonyl-1-methyl-benzene
    • AC1MC42T
    • Ambpe2008080
    • CTK4F5901
    • SBB100532
    • SureCN265203
    • FS-1750
    • A877572
    • 4-bromo-1-methyl-2-methylsulfonylbenzene
    • MFCD04037925
    • (S)-methyl?5-oxotetrahydrofuran-2-carboxylate
    • SRYXZVWRMOFVCO-UHFFFAOYSA-N
    • DTXSID70375510
    • D94950
    • SCHEMBL265203
    • FT-0676959
    • 4-Bromo-2-(methylsulfonyl)toluene
    • 254887-17-7
    • AKOS015835542
    • CS-0153571
    • EN300-7372496
    • 4-bromo-2-methanesulfonyl-1-methylbenzene
    • DB-006682
    • 4-Bromo-1-methyl-2-(methylsulfonyl)benzene
    • MDL: MFCD04037925
    • Inchi: 1S/C8H9BrO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h3-5H,1-2H3
    • InChI Key: SRYXZVWRMOFVCO-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C)=C(C=1)S(C)(=O)=O

Computed Properties

  • Exact Mass: 247.95067
  • Monoisotopic Mass: 247.951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 242
  • 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
  • Topological Polar Surface Area: 42.5A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.522
  • Melting Point: 92-94°C
  • Boiling Point: 378.8°Cat760mmHg
  • Flash Point: 182.9°C
  • Refractive Index: 1.555
  • PSA: 34.14

4-Bromo-1-methyl-2-(methylsulfonyl)benzene Security Information

  • Hazardous Material Identification: Xi

4-Bromo-1-methyl-2-(methylsulfonyl)benzene Pricemore >>

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Additional information on 4-Bromo-1-methyl-2-(methylsulfonyl)benzene

Introduction to 4-Bromo-1-methyl-2-(methylsulfonyl)benzene (CAS No. 254887-17-7)

4-Bromo-1-methyl-2-(methylsulfonyl)benzene (CAS No. 254887-17-7) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, characterized by its unique structural features, has been the subject of numerous studies due to its potential applications in drug discovery and advanced materials development.

The molecular structure of 4-Bromo-1-methyl-2-(methylsulfonyl)benzene consists of a benzene ring substituted with a bromo group at the 4-position, a methyl group at the 1-position, and a methylsulfonyl group at the 2-position. These functional groups contribute to the compound's reactivity and stability, making it an attractive starting material for various synthetic transformations.

In recent years, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene has been extensively studied for its potential in the development of novel pharmaceuticals. One notable application is in the synthesis of selective serotonin reuptake inhibitors (SSRIs), which are widely used to treat depression and anxiety disorders. The bromo and methylsulfonyl groups provide key functionalities that can be modified to enhance the pharmacological properties of these compounds.

Beyond its role in pharmaceutical research, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene has also found applications in materials science. Its unique electronic properties make it suitable for use in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The bromo group can be readily substituted with other functional groups, allowing for fine-tuning of the material's electronic and optical properties.

The synthesis of 4-Bromo-1-methyl-2-(methylsulfonyl)benzene typically involves several steps, including bromination, methylation, and sulfonylation. These reactions are well-documented in the literature and can be optimized for large-scale production. The choice of solvents and catalysts plays a crucial role in achieving high yields and purity levels.

In terms of safety and handling, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene should be stored in a cool, dry place away from incompatible materials. It is important to follow standard laboratory safety protocols when working with this compound to ensure the well-being of researchers and the integrity of experimental results.

The environmental impact of 4-Bromo-1-methyl-2-(methylsulfonyl)benzene is another important consideration. Efforts are being made to develop greener synthetic methods that minimize waste and reduce the use of hazardous reagents. Sustainable practices in chemical synthesis are becoming increasingly important as the industry strives to meet environmental regulations and consumer demands for eco-friendly products.

In conclusion, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene (CAS No. 254887-17-7) is a multifaceted compound with significant potential in both pharmaceutical and materials science applications. Its unique structural features make it a valuable starting material for a wide range of synthetic transformations. Ongoing research continues to uncover new uses and improvements in its synthesis, contributing to its growing importance in various scientific fields.

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