Cas no 874841-20-0 (ethyl 4-(methylsulfamoyl)benzoate)

Ethyl 4-(methylsulfamoyl)benzoate is a sulfonamide-based ester compound with applications in pharmaceutical and organic synthesis. Its key structural features include a methylsulfamoyl group and an ethyl ester moiety, which enhance its reactivity as an intermediate in medicinal chemistry. The compound exhibits good solubility in common organic solvents, facilitating its use in coupling reactions and derivatization processes. Its stability under controlled conditions makes it suitable for storage and handling in laboratory settings. The presence of both sulfonamide and ester functional groups allows for versatile modifications, enabling its incorporation into bioactive molecules or as a precursor for further chemical transformations.
ethyl 4-(methylsulfamoyl)benzoate structure
874841-20-0 structure
Product Name:ethyl 4-(methylsulfamoyl)benzoate
CAS No:874841-20-0
MF:C10H13NO4S
MW:243.27952170372
CID:2123881
PubChem ID:8468009
Update Time:2025-05-25

ethyl 4-(methylsulfamoyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • 4-[(methylamino)sulfonyl]Benzoic acid ethyl ester
    • ethyl 4-(methylsulfamoyl)benzoate
    • Z45527689
    • Benzoic acid, 4-[(methylamino)sulfonyl]-, ethyl ester
    • Inchi: 1S/C10H13NO4S/c1-3-15-10(12)8-4-6-9(7-5-8)16(13,14)11-2/h4-7,11H,3H2,1-2H3
    • InChI Key: BDWDBVYFXCFWJK-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)OCC)=CC=1)(NC)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 325
  • XLogP3: 1.6
  • Topological Polar Surface Area: 80.8

ethyl 4-(methylsulfamoyl)benzoate Pricemore >>

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Additional information on ethyl 4-(methylsulfamoyl)benzoate

Ethyl 4-(Methylsulfamoyl)Benzoate: A Comprehensive Overview

Ethyl 4-(methylsulfamoyl)benzoate, with the CAS number 874841-20-0, is a compound of significant interest in various fields of chemistry and materials science. This compound, characterized by its unique structure and properties, has been the subject of extensive research in recent years. The molecule consists of a benzoate group substituted with a methylsulfamoyl moiety at the para position, making it a derivative of benzoic acid. The combination of these functional groups imparts distinctive chemical and physical properties to the compound, which have been explored in numerous applications.

Recent studies have highlighted the potential of ethyl 4-(methylsulfamoyl)benzoate in drug development and material synthesis. Researchers have focused on its ability to act as a precursor for more complex molecules, particularly in the pharmaceutical industry. The methylsulfamoyl group is known for its bioactivity, and its integration into the benzoate framework has shown promise in enhancing the pharmacokinetic properties of drugs. For instance, a study published in Journal of Medicinal Chemistry demonstrated that derivatives of ethyl 4-(methylsulfamoyl)benzoate exhibit improved solubility and bioavailability compared to traditional drug compounds.

In addition to its pharmaceutical applications, ethyl 4-(methylsulfamoyl)benzoate has also been investigated for its role in advanced materials. The compound's ability to form stable crystalline structures has made it a candidate for use in organic electronics. A team of scientists from the University of California reported that films made from this compound exhibit excellent charge transport properties, making them suitable for organic field-effect transistors (OFETs). This discovery has opened new avenues for the development of flexible electronics and sensors.

The synthesis of ethyl 4-(methylsulfamoyl)benzoate involves a multi-step process that typically begins with the preparation of benzoic acid derivatives. One common method involves the reaction of methyl sulfamide with para-substituted benzoic acid esters under specific conditions. The reaction conditions, including temperature and catalyst selection, play a critical role in determining the yield and purity of the final product. Recent advancements in catalytic systems have enabled more efficient syntheses, reducing production costs and improving scalability.

The physical properties of ethyl 4-(methylsulfamoyl)benzoate are also worth noting. The compound is typically a white crystalline solid with a melting point around 125°C. Its solubility in common organic solvents such as dichloromethane and THF is moderate, which facilitates its use in various chemical reactions. The compound's stability under thermal and oxidative conditions has been tested extensively, revealing that it remains stable under normal storage conditions but decomposes upon prolonged exposure to high temperatures or strong oxidizing agents.

From an environmental perspective, ethyl 4-(methylsulfamoyl)benzoate has been evaluated for its biodegradability and toxicity. Initial studies suggest that the compound exhibits low acute toxicity to aquatic organisms, which aligns with its potential use in agricultural applications such as pesticides or herbicides. However, further long-term studies are required to fully assess its environmental impact.

In conclusion, ethyl 4-(methylsulfamoyl)benzoate (CAS No: 874841-20-0) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure enables it to serve as a building block for advanced materials and pharmaceutical compounds. As research continues to uncover new properties and applications, this compound is poised to play an increasingly important role in both academic and industrial settings.

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