Cas no 1071368-98-3 (4-Methyl-1H-benzimidazole-2-sulfonic acid)

4-Methyl-1H-benzimidazole-2-sulfonic acid is a sulfonated benzimidazole derivative with applications in pharmaceutical and chemical synthesis. Its structure combines a methyl-substituted benzimidazole core with a sulfonic acid group, enhancing solubility and reactivity. This compound serves as a versatile intermediate in the preparation of biologically active molecules, particularly in the development of inhibitors and coordination chemistry. The sulfonic acid moiety improves water solubility, facilitating reactions in aqueous media. Its stability under moderate conditions makes it suitable for further functionalization. The product is characterized by high purity and consistent performance, meeting stringent requirements for research and industrial applications. Proper handling and storage are recommended to maintain its integrity.
4-Methyl-1H-benzimidazole-2-sulfonic acid structure
1071368-98-3 structure
Product Name:4-Methyl-1H-benzimidazole-2-sulfonic acid
CAS No:1071368-98-3
MF:C8H8N2O3S
MW:212.225720405579
MDL:MFCD11696447
CID:2145918
Update Time:2025-10-25

4-Methyl-1H-benzimidazole-2-sulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 7-methyl-1H-Benzimidazole-2-sulfonic acid
    • 4-methyl-1H-benzimidazole-2-sulfonic acid
    • 4-Methyl-1H-benzoimidazole-2-sulfonic acid
    • 4-Methyl-1H-benzo[d]imidazole-2-sulfonic acid
    • STK502892
    • FCH1405830
    • 1h-benzimidazole-2-sulfonic acid,7-methyl-
    • BB 0240771
    • 4-Methyl-1H-benzimidazole-2-sulfonic acid
    • MDL: MFCD11696447
    • Inchi: 1S/C8H8N2O3S/c1-5-3-2-4-6-7(5)10-8(9-6)14(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)
    • InChI Key: BKHHQZSDBCGKCD-UHFFFAOYSA-N
    • SMILES: S(C1=NC2C(C)=CC=CC=2N1)(=O)(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 311
  • Topological Polar Surface Area: 91.4

Experimental Properties

  • Density: 1.6±0.1 g/cm3

4-Methyl-1H-benzimidazole-2-sulfonic acid Security Information

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Additional information on 4-Methyl-1H-benzimidazole-2-sulfonic acid

4-Methyl-1H-benzimidazole-2-sulfonic acid (CAS No. 1071368-98-3): An Overview

4-Methyl-1H-benzimidazole-2-sulfonic acid (CAS No. 1071368-98-3) is a versatile compound with significant applications in the fields of medicinal chemistry, pharmaceutical research, and materials science. This compound, characterized by its unique structural features, has garnered considerable attention due to its potential in developing novel therapeutic agents and advanced materials.

The molecular structure of 4-Methyl-1H-benzimidazole-2-sulfonic acid consists of a benzimidazole ring with a methyl group at the 4-position and a sulfonic acid group at the 2-position. The benzimidazole core is a well-known scaffold in medicinal chemistry, known for its biological activity and ability to form stable complexes with various metal ions. The presence of the sulfonic acid group imparts additional functionalities, such as enhanced solubility and reactivity, making it a valuable building block in synthetic chemistry.

Recent studies have highlighted the potential of 4-Methyl-1H-benzimidazole-2-sulfonic acid in various therapeutic areas. For instance, research published in the Journal of Medicinal Chemistry has demonstrated that derivatives of this compound exhibit potent anti-inflammatory and anti-cancer properties. Specifically, the sulfonic acid group has been shown to enhance the bioavailability and cellular uptake of these derivatives, thereby improving their therapeutic efficacy.

In the realm of pharmaceutical research, 4-Methyl-1H-benzimidazole-2-sulfonic acid has been explored as a potential lead compound for developing new drugs targeting neurodegenerative diseases. A study conducted by researchers at the University of California, Los Angeles (UCLA) found that this compound can effectively cross the blood-brain barrier and modulate key signaling pathways involved in neuroprotection. These findings suggest that 4-Methyl-1H-benzimidazole-2-sulfonic acid and its derivatives may hold promise for treating conditions such as Alzheimer's disease and Parkinson's disease.

Beyond its medicinal applications, 4-Methyl-1H-benzimidazole-2-sulfonic acid has also found utility in materials science. Its unique chemical properties make it an attractive candidate for developing advanced materials with enhanced performance characteristics. For example, researchers at the Massachusetts Institute of Technology (MIT) have utilized this compound to synthesize novel polymers with improved thermal stability and mechanical strength. These polymers have potential applications in areas such as electronics, aerospace, and automotive industries.

The synthesis of 4-Methyl-1H-benzimidazole-2-sulfonic acid typically involves multi-step processes that require precise control over reaction conditions to ensure high yields and purity. Common synthetic routes include the condensation of o-phenylenediamine with formic acid to form benzimidazole, followed by methylation and sulfonation steps. Advances in green chemistry have led to the development of more environmentally friendly methods for synthesizing this compound, reducing waste and minimizing the use of hazardous reagents.

In conclusion, 4-Methyl-1H-benzimidazole-2-sulfonic acid (CAS No. 1071368-98-3) is a multifaceted compound with a wide range of applications in medicinal chemistry, pharmaceutical research, and materials science. Its unique structural features and functional groups make it a valuable tool for developing new therapeutic agents and advanced materials. Ongoing research continues to uncover new possibilities for this compound, further solidifying its importance in various scientific disciplines.

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