Cas no 418775-65-2 (5-(Diethylsulfamoyl)-2-methylbenzoic Acid)

5-(Diethylsulfamoyl)-2-methylbenzoic Acid is a sulfonamide-substituted benzoic acid derivative with applications in pharmaceutical and organic synthesis. Its key structural features include a diethylsulfamoyl group at the 5-position and a methyl substituent at the 2-position of the benzoic acid core, offering unique reactivity and functionalization potential. This compound is valued for its role as an intermediate in the synthesis of biologically active molecules, particularly those targeting sulfonamide-based pharmacophores. The presence of both sulfamoyl and carboxylic acid moieties enhances its versatility in coupling reactions and derivatization. It is typically characterized by high purity and stability, making it suitable for research and development in medicinal chemistry.
5-(Diethylsulfamoyl)-2-methylbenzoic Acid structure
418775-65-2 structure
Product Name:5-(Diethylsulfamoyl)-2-methylbenzoic Acid
CAS No:418775-65-2
MF:C12H17NO4S
MW:271.33268237114
CID:843509
Update Time:2025-10-22

5-(Diethylsulfamoyl)-2-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-[(DIETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID
    • 5-(Diethylsulfamoyl)-2-methylbenzoic Acid
    • Inchi: 1S/C12H17NO4S/c1-4-13(5-2)18(16,17)10-7-6-9(3)11(8-10)12(14)15/h6-8H,4-5H2,1-3H3,(H,14,15)
    • InChI Key: FDWQMZGFHPGMPJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=C(C(=O)O)C=1)(N(CC)CC)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5

5-(Diethylsulfamoyl)-2-methylbenzoic Acid Pricemore >>

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Additional information on 5-(Diethylsulfamoyl)-2-methylbenzoic Acid

5-(Diethylsulfamoyl)-2-methylbenzoic Acid (CAS 418775-65-2): A Comprehensive Overview

5-(Diethylsulfamoyl)-2-methylbenzoic Acid (CAS 418775-65-2) is a specialized sulfonamide derivative with a unique chemical structure that combines a benzoic acid core with a diethylsulfamoyl substituent. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its potential as a bioactive intermediate. The 2-methylbenzoic acid moiety provides excellent stability, while the diethylsulfamoyl group enhances its solubility and reactivity, making it valuable for various applications.

The growing interest in sulfonamide-based compounds like 5-(Diethylsulfamoyl)-2-methylbenzoic Acid stems from their versatility in drug discovery. Researchers are actively exploring its role in developing enzyme inhibitors and receptor modulators, particularly for metabolic and inflammatory disorders. Recent studies highlight its potential as a precursor for carbon anhydrase inhibitors, which are crucial in treating glaucoma and altitude sickness. This aligns with current trends in targeted drug design, where molecular specificity is paramount.

From a synthetic chemistry perspective, CAS 418775-65-2 demonstrates remarkable utility as a building block for more complex molecules. Its benzoic acid functionality allows for straightforward derivatization through esterification or amidation reactions, while the sulfamoyl group can participate in nucleophilic substitutions. These properties make it particularly valuable in combinatorial chemistry and high-throughput screening applications, addressing the pharmaceutical industry's need for diverse molecular libraries.

The compound's physicochemical properties contribute significantly to its research applications. With a molecular weight of 285.35 g/mol and balanced lipophilicity-hydrophilicity characteristics, 5-(Diethylsulfamoyl)-2-methylbenzoic Acid exhibits optimal membrane permeability for biological studies. Its pKa values (approximately 4.2 for the carboxylic acid and 9.1 for the sulfonamide) make it stable under physiological conditions, an essential feature for in vitro assays and drug metabolism studies.

In material science applications, this compound shows promise as a functional additive for specialty polymers. The methylbenzoic acid component can influence polymer crystallinity, while the sulfamoyl group may enhance interfacial properties in composite materials. These characteristics are particularly relevant for developing advanced biocompatible materials and controlled-release systems, addressing current demands in medical device technology.

Quality control of 5-(Diethylsulfamoyl)-2-methylbenzoic Acid typically involves advanced analytical techniques. High-performance liquid chromatography (HPLC) with UV detection is commonly employed to verify purity, while mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy confirm structural integrity. These rigorous analytical protocols ensure the compound meets the exacting standards required for pharmaceutical research and fine chemical applications.

The commercial availability of CAS 418775-65-2 has expanded significantly to meet growing research demand. Suppliers typically offer this compound in quantities ranging from milligrams to kilograms, with purity grades from 95% to 99.5% for different applications. Proper storage recommendations include protection from moisture at controlled room temperature, maintaining its stability for extended periods. These supply chain developments support the compound's increasing utilization across multiple research sectors.

Environmental and safety considerations for 5-(Diethylsulfamoyl)-2-methylbenzoic Acid follow standard laboratory chemical protocols. While not classified as hazardous under normal handling conditions, appropriate personal protective equipment including gloves and safety glasses is recommended. Waste disposal should comply with local regulations for organic compounds, reflecting the scientific community's growing emphasis on green chemistry principles and sustainable research practices.

Future research directions for this compound may explore its potential in bioconjugation chemistry and prodrug development. The presence of multiple functional groups offers opportunities for creating targeted delivery systems, particularly in oncology and antimicrobial applications. These developments align with current trends toward precision medicine and personalized therapeutics, positioning 5-(Diethylsulfamoyl)-2-methylbenzoic Acid as a valuable tool in modern drug discovery pipelines.

In conclusion, 5-(Diethylsulfamoyl)-2-methylbenzoic Acid (CAS 418775-65-2) represents a versatile and valuable chemical entity with broad applications in pharmaceutical research and specialty chemistry. Its unique structural features and adaptable reactivity profile make it particularly relevant for contemporary medicinal chemistry challenges. As research continues to uncover new applications, this compound is poised to play an increasingly important role in the development of novel therapeutic agents and functional materials.

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