Cas no 885274-58-8 (4-Oxazolecarboxylicacid, 2-(2-ethylphenyl)-, ethyl ester)

4-Oxazolecarboxylic acid, 2-(2-ethylphenyl)-, ethyl ester is a specialized organic compound featuring an oxazole core substituted with a 2-ethylphenyl group and an ethyl ester functionality. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it may serve as an intermediate or building block. The ethyl ester group enhances solubility in organic solvents, facilitating further derivatization. Its well-defined molecular architecture allows for precise modifications, making it valuable in the development of biologically active compounds. The compound's stability under standard conditions ensures reliable handling and storage, supporting its use in methodical chemical synthesis.
4-Oxazolecarboxylicacid, 2-(2-ethylphenyl)-, ethyl ester structure
885274-58-8 structure
Product Name:4-Oxazolecarboxylicacid, 2-(2-ethylphenyl)-, ethyl ester
CAS No:885274-58-8
MF:C14H15NO3
MW:245.273803949356
CID:711145
PubChem ID:53407307
Update Time:2025-05-20

4-Oxazolecarboxylicacid, 2-(2-ethylphenyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylicacid, 2-(2-ethylphenyl)-, ethyl ester
    • 2-(2-Ethyl-phenyl)-oxazole-4-carboxylic acid ethyl ester
    • 2-(2-ETHYL-PHENYL)OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER,
    • ethyl 2-(2-ethylphenyl)-1,3-oxazole-4-carboxylate
    • 885274-58-8
    • FT-0718723
    • A862018
    • AB27507
    • DTXSID00695859
    • ETHYL 2-(2-ETHYLPHENYL)OXAZOLE-4-CARBOXYLATE
    • ETHYL2-(2-ETHYLPHENYL)OXAZOLE-4-CARBOXYLATE
    • DB-077595
    • Inchi: 1S/C14H15NO3/c1-3-10-7-5-6-8-11(10)13-15-12(9-18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
    • InChI Key: UZOXBIKSGINOTD-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)OCC)N=C1C1C=CC=CC=1CC

Computed Properties

  • Exact Mass: 245.10500
  • Monoisotopic Mass: 245.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 282
  • 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
  • Topological Polar Surface Area: 52.3A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3

Experimental Properties

  • PSA: 52.33000
  • LogP: 3.08070

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Additional information on 4-Oxazolecarboxylicacid, 2-(2-ethylphenyl)-, ethyl ester

4-Oxazolecarboxylic Acid, 2-(2-Ethylphenyl)-, Ethyl Ester: A Comprehensive Overview

The compound with CAS No 885274-58-8, commonly referred to as 4-Oxazolecarboxylic acid, 2-(2-ethylphenyl)-, ethyl ester, is a significant molecule in the field of organic chemistry and pharmacology. This compound belongs to the class of oxazole derivatives, which have gained considerable attention due to their diverse biological activities and potential applications in drug development. The oxazole ring structure is a key feature of this molecule, contributing to its unique chemical properties and reactivity.

Recent studies have highlighted the importance of oxazole-containing compounds in medicinal chemistry. For instance, researchers have explored the role of 4-Oxazolecarboxylic acid derivatives in modulating various cellular pathways, including those involved in inflammation and oxidative stress. These findings underscore the potential of this compound as a lead molecule for developing novel therapeutic agents.

The ethyl ester group in this compound plays a crucial role in enhancing its pharmacokinetic properties. Esterification is a common strategy in drug design to improve bioavailability and stability. In the case of 4-Oxazolecarboxylic acid, 2-(2-ethylphenyl)-, ethyl ester, the ester group not only improves solubility but also influences the molecule's ability to cross biological membranes. This makes it a promising candidate for drug delivery systems targeting chronic diseases such as neurodegenerative disorders and cardiovascular conditions.

The substituent at position 2 on the phenyl ring (specifically the ethyl group) further modulates the physicochemical properties of the compound. Substituent effects are critical in determining the overall activity and selectivity of a molecule. Recent computational studies have demonstrated that the ethyl substitution pattern enhances the molecule's lipophilicity, which is essential for binding to hydrophobic pockets in target proteins.

From a synthetic perspective, the preparation of 4-Oxazolecarboxylic acid derivatives involves multi-step reactions that require precise control over reaction conditions. One common approach involves the condensation of aldehydes with hydroxamic acids or their derivatives to form oxazole rings. The subsequent introduction of substituents like the ethyl group at specific positions is achieved through nucleophilic aromatic substitution or other advanced organic transformations.

Biological evaluations of 4-Oxazolecarboxylic acid, 2-(2-ethylphenyl)-, ethyl ester have revealed its potential as an anti-inflammatory agent. In vitro assays have shown that this compound inhibits key enzymes involved in inflammatory pathways, such as cyclooxygenase (COX) and lipoxygenase (LOX). These findings align with broader trends in drug discovery where oxazole-containing compounds are being explored for their anti-inflammatory and antioxidant properties.

Moreover, recent advancements in green chemistry have led to more sustainable methods for synthesizing oxazole derivatives like CAS No 885274-58-8. Techniques such as microwave-assisted synthesis and catalytic processes are being employed to reduce waste and improve efficiency. These innovations not only enhance the scalability of production but also align with global efforts toward environmentally friendly chemical manufacturing.

In terms of applications beyond pharmacology, oxazole-containing compounds are also being investigated for their roles in agrochemicals and materials science. For example, some derivatives exhibit potent activity against plant pathogens, making them candidates for next-generation pesticides. Similarly, their unique electronic properties make them suitable for use in organic electronics and optoelectronic devices.

Despite its promising potential, further research is needed to fully elucidate the mechanism of action and long-term safety profile of 4-Oxazolecarboxylic acid, 2-(2-ethylphenyl)-, ethyl ester. Preclinical studies are currently underway to assess its efficacy in animal models of chronic diseases and to evaluate its toxicity profile comprehensively.

In conclusion, CAS No 885274-58-8, or 4-Oxazolecarboxylic acid, 2-(2-ethylphenyl)-, ethyl ester, represents a valuable addition to the arsenal of bioactive molecules being explored for therapeutic applications. Its unique chemical structure and promising biological activities position it as a key player in future drug discovery efforts.

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