Cas no 71998-99-7 (2-Butylimidazole-4,5-dicarboxylic Acid)

2-Butylimidazole-4,5-dicarboxylic Acid is a heterocyclic dicarboxylic acid derivative with a butyl substituent at the 2-position of the imidazole ring. This compound is valued for its bifunctional reactivity due to the presence of two carboxyl groups, enabling its use as a versatile intermediate in organic synthesis and coordination chemistry. Its imidazole core contributes to metal-chelating properties, making it suitable for applications in catalysis and material science. The butyl chain enhances solubility in organic solvents, facilitating its incorporation into polymer matrices or ligand systems. The product is typically utilized in research settings for developing functionalized imidazole-based compounds, pharmaceuticals, or metal-organic frameworks (MOFs).
2-Butylimidazole-4,5-dicarboxylic Acid structure
71998-99-7 structure
Product Name:2-Butylimidazole-4,5-dicarboxylic Acid
CAS No:71998-99-7
MF:C9H12N2O4
MW:212.202582359314
CID:544721
PubChem ID:19036100
Update Time:2025-05-21

2-Butylimidazole-4,5-dicarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4,5-dicarboxylic acid, 2-butyl-
    • 2-butyl-1H-imidazole-4,5-dicarboxylic acid
    • 2-n-butylimidazole-4,5-dicarboxylic acid
    • DTXSID40597606
    • SCHEMBL7300490
    • Oprea1_378300
    • 71998-99-7
    • 2-butylimidazole-4,5-dicarboxylic acid
    • 2-Butylimidazole-4,5-dicarboxylic Acid
    • Inchi: 1S/C9H12N2O4/c1-2-3-4-5-10-6(8(12)13)7(11-5)9(14)15/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15)
    • InChI Key: UFVLIGITZXQUON-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C(=O)O)N=C(CCCC)N1)=O

Computed Properties

  • Exact Mass: 212.07976
  • Monoisotopic Mass: 212.07970687g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 257
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • PSA: 103.28

2-Butylimidazole-4,5-dicarboxylic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-Butylimidazole-4,5-dicarboxylic Acid Related Literature

Additional information on 2-Butylimidazole-4,5-dicarboxylic Acid

2-Butylimidazole-4,5-Dicarboxylic Acid: A Comprehensive Overview

2-Butylimidazole-4,5-dicarboxylic acid, identified by the CAS number 71998-99-7, is a versatile compound with significant applications in various fields of chemistry and materials science. This compound is a derivative of imidazole, a heterocyclic aromatic compound, and its structure includes two carboxylic acid groups at the 4 and 5 positions of the imidazole ring. The presence of these functional groups makes it highly reactive and suitable for a wide range of chemical reactions.

The synthesis of 2-butylimidazole-4,5-dicarboxylic acid typically involves the reaction of imidazole derivatives with appropriate alkylating agents. Recent studies have explored novel synthetic pathways to enhance the efficiency and yield of this compound. For instance, researchers have employed microwave-assisted synthesis techniques to accelerate the reaction process while maintaining high purity levels. These advancements have made the production of 2-butylimidazole-4,5-dicarboxylic acid more accessible for industrial applications.

In terms of applications, 2-butylimidazole-4,5-dicarboxylic acid has been extensively used as an intermediate in the synthesis of various pharmaceutical compounds. Its ability to form stable complexes with metal ions has led to its use in drug delivery systems and as a chelating agent in medicinal chemistry. Recent research has highlighted its potential in developing novel anti-cancer drugs, where it serves as a scaffold for attaching bioactive molecules.

Beyond pharmaceuticals, this compound has found applications in materials science. Its ability to form coordination polymers and metal-organic frameworks (MOFs) has been leveraged in the development of advanced materials for gas storage and catalysis. For example, studies have demonstrated that MOFs incorporating 2-butylimidazole-4,5-dicarboxylic acid exhibit exceptional stability and selectivity for capturing CO2 and other greenhouse gases.

The chemical properties of 2-butylimidazole-4,5-dicarboxylic acid make it an ideal candidate for use in corrosion inhibition. Its ability to form protective films on metal surfaces has been explored in various industrial settings. Recent findings suggest that incorporating this compound into coatings can significantly enhance their durability and resistance to environmental factors such as humidity and temperature fluctuations.

In conclusion, 2-butylimidazole-4,5-dicarboxylic acid, CAS number 71998-99-7, is a multifaceted compound with diverse applications across different scientific domains. From drug development to materials science and corrosion protection, its unique chemical properties continue to drive innovative research and practical implementations. As advancements in synthetic methodologies and application studies progress, the potential of this compound is expected to expand further in the coming years.

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