Cas no 324776-97-8 (1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole)

1-(4-Bromobenzenesulfonyl)-2-methyl-1H-imidazole is a sulfonylated imidazole derivative characterized by its brominated aromatic ring and methyl-substituted imidazole core. This compound is of interest in synthetic organic chemistry due to its potential as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of the 4-bromobenzenesulfonyl group enhances its reactivity in nucleophilic substitution and cross-coupling reactions, while the 2-methyl-1H-imidazole moiety contributes to its stability and selectivity in heterocyclic transformations. Its well-defined structure and high purity make it suitable for precise synthetic applications, particularly in the development of sulfonamide-based bioactive molecules. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole structure
324776-97-8 structure
Product Name:1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole
CAS No:324776-97-8
MF:C10H9BrN2O2S
MW:301.159660100937
MDL:MFCD01022247
CID:853907
PubChem ID:804701
Update Time:2025-11-01

1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole Chemical and Physical Properties

Names and Identifiers

    • 1-((4-Bromophenyl)sulfonyl)-2-methyl-1H-imidazole
    • 1-(4-bromophenyl)sulfonyl-2-methylimidazole
    • 1-(4-Bromophenylsulfonyl)-2-methyl-1H-imidazole
    • 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole
    • AKOS000595962
    • Oprea1_489769
    • J-018754
    • SMSF0006474
    • DTXSID30355530
    • Z2044737947
    • AB00090540-01
    • A875609
    • 1-(4-BROMOBENZENESULFONYL)-2-METHYLIMIDAZOLE
    • 324776-97-8
    • CBMicro_000188
    • F0285-0208
    • Oprea1_758285
    • AG-690/11304324
    • ZMA77697
    • CS-0206765
    • BS-22603
    • MFCD01022247
    • BIM-0000293.P001
    • 1-(4-Bromobenzene-1-sulfonyl)-2-methyl-1H-imidazole
    • 1-[(4-bromophenyl)sulfonyl]-2-methyl-1H-imidazole
    • Cambridge id 5614082
    • CB01700
    • MDL: MFCD01022247
    • Inchi: 1S/C10H9BrN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-7H,1H3
    • InChI Key: SPOIIUHBZFJLOA-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)S(N1C=CN=C1C)(=O)=O

Computed Properties

  • Exact Mass: 299.95700
  • Monoisotopic Mass: 299.95681g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 333
  • 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: 2.3
  • Topological Polar Surface Area: 60.3?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 456.1±47.0 °C at 760 mmHg
  • Flash Point: 229.7±29.3 °C
  • PSA: 60.34000
  • LogP: 3.27180
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole Security Information

1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole

Comprehensive Overview of 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole (CAS No. 324776-97-8)

1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole (CAS No. 324776-97-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound belongs to the class of sulfonylated imidazole derivatives, which are known for their versatile applications in medicinal chemistry and material science. The presence of both a bromobenzenesulfonyl group and a methyl-imidazole moiety makes it a valuable intermediate for synthesizing more complex molecules.

In recent years, the demand for imidazole-based compounds has surged due to their role in drug discovery, particularly in the development of enzyme inhibitors and antimicrobial agents. Researchers are increasingly exploring the potential of 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole as a building block for designing novel therapeutics. Its unique structural features allow for modifications that can enhance bioavailability and target specificity, addressing key challenges in modern pharmacology.

One of the most frequently searched topics related to this compound is its synthetic pathway. The synthesis of 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole typically involves the sulfonylation of 2-methylimidazole with 4-bromobenzenesulfonyl chloride under controlled conditions. This process highlights the importance of green chemistry principles, as researchers strive to minimize waste and improve yield efficiency. Such methodologies align with the growing emphasis on sustainable chemical practices in the industry.

Another area of interest is the compound's physicochemical properties. With a molecular formula of C10H9BrN2O2S, it exhibits moderate solubility in organic solvents like dimethyl sulfoxide (DMSO) and acetonitrile, making it suitable for various experimental setups. Its stability under ambient conditions further enhances its utility in laboratory settings, a feature often queried by chemists and formulators.

The application of 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole in catalysis is another hot topic. Recent studies suggest its potential as a ligand in transition metal-catalyzed reactions, which are pivotal in constructing complex molecular architectures. This aligns with the broader trend of exploring heterocyclic compounds for catalytic applications, a subject frequently searched in academic databases.

From a commercial perspective, the compound's relevance extends to the agrochemical and material science sectors. Its structural motifs are being investigated for developing crop protection agents and advanced polymers, reflecting the interdisciplinary nature of its applications. This versatility answers common queries about its industrial uses beyond pharmaceuticals.

Quality control and analytical characterization of 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole are critical for ensuring reproducibility in research. Techniques such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR), and mass spectrometry (MS) are routinely employed to verify purity and structural integrity. These methods are frequently discussed in forums and publications, underscoring their importance in compound validation.

In conclusion, 1-(4-bromobenzenesulfonyl)-2-methyl-1H-imidazole (CAS No. 324776-97-8) represents a compelling case study in the intersection of organic synthesis, drug development, and industrial chemistry. Its multifaceted applications and ongoing research interest make it a compound worth watching in the evolving landscape of chemical innovation.

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