Cas no 374067-96-6 (4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide)

4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide is a benzenesulfonamide derivative featuring a tertiary hydroxyalkyl substituent at the para position. This structural motif enhances its solubility in polar solvents while maintaining stability under typical storage conditions. The compound's hydroxyl and sulfonamide functional groups make it a versatile intermediate in organic synthesis, particularly for constructing pharmacologically active molecules or specialty chemicals. Its well-defined reactivity allows for selective modifications, enabling applications in medicinal chemistry and material science. The steric hindrance from the dimethylethyl group may contribute to controlled reaction kinetics, improving yield in targeted transformations. Suitable for research-scale applications, it offers a balance of reactivity and stability for advanced synthetic workflows.
4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide structure
374067-96-6 structure
Product Name:4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide
CAS No:374067-96-6
MF:C10H15NO3S
MW:229.296001672745
CID:297952
PubChem ID:11064226
Update Time:2025-06-09

4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide,4-(2-hydroxy-1,1-dimethylethyl)-
    • 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide
    • 4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
    • 4-(1-Hydroxy-2-methyl-2-propanyl)benzenesulfonamide
    • 374067-96-6
    • 4-(1-Hydroxy-2-methylpropan-2-yl)benzene-1-sulfonamide
    • EN300-1456893
    • AKOS027447839
    • DTXSID00453911
    • FT-0669553
    • SCHEMBL12481467
    • Inchi: 1S/C10H15NO3S/c1-10(2,7-12)8-3-5-9(6-4-8)15(11,13)14/h3-6,12H,7H2,1-2H3,(H2,11,13,14)
    • InChI Key: SOOTXJBKDRWYBZ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)C(C)(C)CO)(N)(=O)=O

Computed Properties

  • Exact Mass: 229.07700
  • Monoisotopic Mass: 229.07726451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 297
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 88.8?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 100-102°C
  • Boiling Point: 398.9±44.0 °C at 760 mmHg
  • Flash Point: 195.1±28.4 °C
  • Refractive Index: 1.562
  • Solubility: DMSO, Ethyl Acetate, Methanol
  • PSA: 88.77000
  • LogP: 2.38500
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide Security Information

4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide Pricemore >>

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4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide Production Method

Additional information on 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide

Introduction to 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide (CAS No. 374067-96-6)

4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide (CAS No. 374067-96-6) is a synthetic organic compound that has garnered significant attention in recent years due to its potential applications in pharmaceutical and medicinal chemistry. This compound is characterized by its unique structural features, which include a hydroxy group and a sulfonamide moiety, making it a promising candidate for various therapeutic and research purposes.

The chemical structure of 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide consists of a benzene ring substituted with a sulfonamide group at the para position and a 2-hydroxy-1,1-dimethylethyl group. The presence of these functional groups imparts specific chemical and biological properties to the molecule, which are crucial for its potential therapeutic applications.

In the realm of medicinal chemistry, 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide has been studied for its anti-inflammatory and analgesic properties. Recent research has shown that this compound exhibits significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. Additionally, it has demonstrated analgesic effects by modulating pain pathways in preclinical models.

The mechanism of action of 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide is multifaceted. It has been hypothesized that the compound interacts with specific receptors or enzymes involved in the inflammatory response and pain signaling pathways. For instance, studies have suggested that it may inhibit the activity of cyclooxygenase (COX) enzymes, which are key mediators of inflammation and pain.

Beyond its anti-inflammatory and analgesic properties, 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide has also shown promise in other therapeutic areas. Research has indicated that it may have potential as an antidiabetic agent by improving insulin sensitivity and glucose metabolism. Preclinical studies have demonstrated that the compound can enhance insulin signaling pathways and reduce blood glucose levels in diabetic animal models.

In terms of safety and toxicity, preliminary studies suggest that 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide exhibits a favorable safety profile. However, further comprehensive toxicological evaluations are necessary to fully understand its long-term effects and potential side effects in humans.

The synthesis of 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide involves several well-established chemical reactions. The process typically begins with the preparation of the 2-hydroxy-1,1-dimethylethyl group through the reaction of tert-butanol with an appropriate reagent. The resulting intermediate is then coupled with a sulfonamide derivative to form the final product. This synthetic route allows for high yields and purity, making it suitable for large-scale production.

In addition to its therapeutic applications, 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide is also used as a research tool in various scientific investigations. Its unique chemical structure makes it an ideal candidate for studying the interactions between small molecules and biological targets. Researchers often utilize this compound to explore new drug discovery pathways and to gain insights into the mechanisms underlying various diseases.

The future prospects for 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide are promising. Ongoing clinical trials are evaluating its efficacy and safety in treating inflammatory conditions and pain disorders. If these trials yield positive results, this compound could potentially be developed into a new class of drugs with broad therapeutic applications.

In conclusion, 4-(2-Hydroxy-1,1-dimethylethyl)benzenesulfonamide (CAS No. 374067-96-6) is a versatile compound with significant potential in both pharmaceutical development and scientific research. Its unique chemical structure and biological activities make it an important molecule to watch in the coming years as further studies continue to uncover its full range of applications.

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