Cas no 81428-07-1 (2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide)

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide is a specialized sulfonamide derivative featuring an isoindole-1,3-dione (phthalimide) moiety. This compound is of interest in synthetic organic chemistry due to its dual functional groups, which enable its use as a versatile intermediate in the development of pharmaceuticals, agrochemicals, and advanced materials. The dimethylsulfonamide group enhances solubility and reactivity, while the phthalimide component contributes to stability and structural diversity. Its well-defined molecular structure allows for precise modifications, making it valuable in targeted synthesis applications. The compound’s robustness under various reaction conditions further underscores its utility in complex chemical transformations.
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide structure
81428-07-1 structure
Product Name:2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide
CAS No:81428-07-1
MF:C12H14N2O4S
MW:282.315561771393
MDL:MFCD08059163
CID:4717201
Update Time:2025-05-19

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide
    • 2-(1,3-Dioxoisoindolin-2-yl)-N,N-dimethylethanesulfonamide
    • R9914
    • 2H-isoindole-2-ethanesulfonamide, 1,3-dihydro-N,N-dimethyl-1,3-dioxo-
    • 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide
    • MDL: MFCD08059163
    • Inchi: 1S/C12H14N2O4S/c1-13(2)19(17,18)8-7-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6H,7-8H2,1-2H3
    • InChI Key: GHHVGVBVWDYGJJ-UHFFFAOYSA-N
    • SMILES: S(CCN1C(C2C=CC=CC=2C1=O)=O)(N(C)C)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 456
  • XLogP3: 0.8
  • Topological Polar Surface Area: 83.1

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide Pricemore >>

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Additional information on 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide

Compound CAS No. 81428-07-1: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide

Compound CAS No. 81428-07-1, also known as 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N,N-dimethylethanesulfonamide, is a highly specialized organic compound with significant potential in various fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a sulfonamide group with a dihydroisoindole moiety, making it a versatile molecule for research and development purposes.

Recent studies have highlighted the importance of sulfonamides in drug discovery and material synthesis due to their stability and ability to form strong hydrogen bonds. The dihydroisoindole ring system in this compound adds further complexity and functionality, enabling it to participate in a wide range of chemical reactions. Researchers have demonstrated that this compound can act as a building block for synthesizing more complex molecules with tailored properties.

The synthesis of CAS No. 81428-07-1 involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. The key steps include the formation of the dihydroisoindole ring through cyclization reactions and the subsequent introduction of the sulfonamide group via nucleophilic substitution. These steps are optimized to ensure high yield and purity, making this compound suitable for both academic research and industrial applications.

In terms of applications, CAS No. 81428-07-1 has shown promise in the field of polymer chemistry, where it can be used as a crosslinking agent to improve the mechanical properties of polymers. Additionally, its ability to form stable amide bonds makes it an attractive candidate for use in biomedical materials, such as drug delivery systems and tissue engineering scaffolds.

Recent advancements in computational chemistry have allowed researchers to predict the electronic properties of CAS No. 81428-07-1 with unprecedented accuracy. These studies reveal that the compound exhibits a high degree of conjugation within its molecular structure, which contributes to its stability and reactivity. Furthermore, density functional theory (DFT) calculations have provided insights into the potential energy surfaces of this compound, aiding in the design of more efficient synthetic pathways.

The integration of experimental and computational methods has also led to the discovery of novel applications for CAS No. 81428-07-1 in the field of catalysis. Researchers have found that this compound can act as a ligand in transition metal catalysts, enhancing their activity and selectivity in various organic transformations. This opens up new possibilities for its use in industrial chemical processes.

In conclusion, CAS No. 81428-07-1: 2-(1,3-Dioxo-1,3-dihydro-2H-isoinodolyl)-N,N-dimethylethanesulfonamide is a multifaceted compound with a wide range of potential applications across different disciplines. Its unique structure and functional groups make it an invaluable tool for researchers seeking to develop innovative materials and technologies.

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