Cas no 1250191-81-1 ((4-Methyl-3-nitrophenyl)methanesulfonyl chloride)

(4-Methyl-3-nitrophenyl)methanesulfonyl chloride is a sulfonyl chloride derivative used as a key intermediate in organic synthesis, particularly in the preparation of sulfonamides and other sulfonate esters. Its reactive sulfonyl chloride group enables efficient coupling with amines or alcohols, facilitating the introduction of the (4-methyl-3-nitrophenyl)methanesulfonyl moiety into target molecules. The compound’s nitro and methyl substituents provide electronic and steric modulation, making it useful in fine chemical and pharmaceutical applications. It is typically handled under anhydrous conditions due to its moisture sensitivity. The product is valued for its purity and stability when stored appropriately, ensuring reliable performance in synthetic workflows.
(4-Methyl-3-nitrophenyl)methanesulfonyl chloride structure
1250191-81-1 structure
Product Name:(4-Methyl-3-nitrophenyl)methanesulfonyl chloride
CAS No:1250191-81-1
MF:C8H8ClNO4S
MW:249.671420097351
MDL:MFCD16671686
CID:5187494
PubChem ID:62084025
Update Time:2025-05-20

(4-Methyl-3-nitrophenyl)methanesulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • (4-methyl-3-nitrophenyl)methanesulfonyl chloride
    • (4-methyl-3-nitrophenyl)methanesulfonylchloride
    • CID 62084025
    • (4-Methyl-3-nitrophenyl)methanesulfonyl chloride
    • MDL: MFCD16671686
    • Inchi: 1S/C8H8ClNO4S/c1-6-2-3-7(5-15(9,13)14)4-8(6)10(11)12/h2-4H,5H2,1H3
    • InChI Key: RBBYAZDDVVVBKZ-UHFFFAOYSA-N
    • SMILES: ClS(CC1C=CC(C)=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 332
  • XLogP3: 2.1
  • Topological Polar Surface Area: 88.3

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Additional information on (4-Methyl-3-nitrophenyl)methanesulfonyl chloride

Introduction to (4-Methyl-3-nitrophenyl)methanesulfonyl chloride (CAS No. 1250191-81-1)

(4-Methyl-3-nitrophenyl)methanesulfonyl chloride, identified by its CAS number 1250191-81-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its nitro and sulfonyl chloride functional groups, serves as a versatile intermediate in the synthesis of various pharmacologically active molecules. Its unique structural properties make it particularly valuable in the development of novel therapeutic agents.

The< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride molecule consists of a phenyl ring substituted with a methyl group at the 4-position and a nitro group at the 3-position, further functionalized with a methanesulfonyl chloride moiety. This arrangement imparts distinct reactivity, making it a valuable building block for medicinal chemists. The presence of the sulfonyl chloride group enhances its utility in nucleophilic substitution reactions, facilitating the introduction of diverse functional groups into target molecules.

In recent years, there has been growing interest in exploring the applications of< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride in drug discovery and development. One of the most compelling areas of research involves its use in the synthesis of kinase inhibitors, which are critical for treating various cancers and inflammatory diseases. The nitro group in the molecule can be readily reduced to an amine, allowing for further derivatization and optimization of bioactivity. This property has been exploited in the design of small-molecule inhibitors targeting specific kinases involved in signal transduction pathways.

Moreover, studies have demonstrated the utility of< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride in constructing heterocyclic compounds, which are prevalent in many biologically active natural products and synthetic drugs. The sulfonyl chloride functionality can undergo nucleophilic aromatic substitution with electron-deficient aromatic rings, enabling the creation of complex scaffolds with enhanced binding affinity to biological targets. Such transformations have been pivotal in developing novel antimicrobial and anticancer agents.

The< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride CAS no. 1250191-81-1 has also found applications in materials science, particularly in the synthesis of advanced polymers and coatings. Its ability to participate in cross-linking reactions makes it a useful component in creating high-performance materials with tailored properties. These materials exhibit improved durability, thermal stability, and chemical resistance, making them suitable for demanding industrial applications.

Recent advancements in green chemistry have prompted researchers to investigate more sustainable synthetic routes for< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride. Efforts have focused on minimizing waste generation and reducing hazardous byproducts through catalytic methods and solvent-free reactions. Such innovations align with global efforts to promote environmental responsibility while maintaining high standards of chemical synthesis.

The pharmacological potential of derivatives of< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride continues to be explored through computational modeling and high-throughput screening. These approaches have identified several promising lead compounds that exhibit potent activity against disease-causing targets. Further optimization using structure-activity relationship studies is ongoing, aiming to develop next-generation therapeutics with improved efficacy and reduced side effects.

In conclusion, the< strong> (4-Methyl-3-nitrophenyl)methanesulfonyl chloride CAS no. 1250191-81-1 is a multifaceted compound with significant applications across pharmaceuticals, materials science, and green chemistry. Its unique reactivity and structural features make it an indispensable tool for researchers seeking to develop innovative solutions to complex scientific challenges. As our understanding of its properties continues to expand, so too will its role in advancing scientific discovery and technological innovation.

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