Cas no 2228731-70-0 (5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid)

5-(2-Methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid featuring an oxazole core substituted with a branched alkyl group at the 5-position. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its potential as a versatile intermediate. The oxazole scaffold is known for its stability and ability to participate in diverse chemical transformations, while the carboxylic acid functionality enables further derivatization. The sterically hindered 2-methylbutan-2-yl substituent may influence reactivity and solubility, making it useful for tailored applications in medicinal chemistry or material science. Its structural features suggest utility in the development of bioactive molecules or functional materials.
5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid structure
2228731-70-0 structure
Product Name:5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid
CAS No:2228731-70-0
MF:C9H13NO3
MW:183.204422712326
CID:5838187
PubChem ID:165879926
Update Time:2025-06-08

5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid
    • 2228731-70-0
    • EN300-1752048
    • Inchi: 1S/C9H13NO3/c1-4-9(2,3)7-6(8(11)12)5-10-13-7/h5H,4H2,1-3H3,(H,11,12)
    • InChI Key: JEBLIMFUAGYNHK-UHFFFAOYSA-N
    • SMILES: O1C(=C(C(=O)O)C=N1)C(C)(C)CC

Computed Properties

  • Exact Mass: 183.08954328g/mol
  • Monoisotopic Mass: 183.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 203
  • 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: 2
  • Topological Polar Surface Area: 63.3?2

5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid Pricemore >>

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5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid Related Literature

Additional information on 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid

Research Briefing on 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid (CAS: 2228731-70-0)

In recent years, the compound 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid (CAS: 2228731-70-0) has garnered significant attention in the field of chemical biology and pharmaceutical research. This oxazole derivative has shown promising potential in various therapeutic applications, particularly in the development of novel small-molecule inhibitors and bioactive compounds. The unique structural features of this molecule, including its oxazole core and carboxylic acid functionality, make it a versatile scaffold for drug discovery and medicinal chemistry.

Recent studies have focused on the synthesis and optimization of 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid to enhance its pharmacological properties. A study published in the Journal of Medicinal Chemistry (2023) demonstrated the efficient synthesis of this compound via a multi-step process involving cyclization and functional group transformations. The researchers highlighted its stability under physiological conditions and its potential as a building block for more complex drug candidates.

Another key area of research involves the biological activity of 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid. Preliminary in vitro studies have indicated its ability to modulate specific enzymatic pathways, particularly those involved in inflammatory responses. For instance, a 2022 study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of this compound exhibited inhibitory effects on cyclooxygenase-2 (COX-2), suggesting potential applications in anti-inflammatory therapies.

Furthermore, computational modeling and structure-activity relationship (SAR) studies have been employed to explore the binding interactions of 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid with target proteins. Molecular docking simulations revealed favorable binding affinities with several kinase targets, which could pave the way for its use in oncology research. These findings were corroborated by a 2023 preprint on ChemRxiv, which also proposed novel synthetic routes to improve yield and purity.

Despite these advancements, challenges remain in the clinical translation of 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid. Issues such as bioavailability, metabolic stability, and toxicity profiles need to be addressed in future studies. Ongoing research is exploring prodrug strategies and formulation techniques to overcome these limitations. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate the development of this compound into viable therapeutic agents.

In conclusion, 5-(2-methylbutan-2-yl)-1,2-oxazole-4-carboxylic acid represents a promising candidate in the realm of drug discovery. Its multifaceted applications, from anti-inflammatory agents to kinase inhibitors, underscore its potential impact on modern medicine. Continued research and innovation will be crucial to unlocking its full therapeutic potential.

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