Cas no 33123-73-8 (4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester)

4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester is a versatile heterocyclic ester commonly used as an intermediate in organic synthesis and pharmaceutical research. Its oxazole core structure, substituted with methyl groups at the 4- and 5-positions, enhances stability and reactivity, making it valuable for constructing complex molecules. The ethyl ester moiety improves solubility in organic solvents, facilitating further derivatization. This compound is particularly useful in the preparation of bioactive molecules, agrochemicals, and functional materials. Its well-defined structure and consistent purity ensure reliable performance in coupling reactions, cyclizations, and other synthetic transformations. Suitable for laboratory-scale and industrial applications, it offers a balance of reactivity and handling convenience.
4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester structure
33123-73-8 structure
Product Name:4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester
CAS No:33123-73-8
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD22689290
CID:1059968
PubChem ID:12691729
Update Time:2025-11-01

4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester
    • 2-Carbethoxy-4,5-dimethyloxazole
    • 4,5-Dimethyl-oxazole-2-carboxylic acid ethyl ester
    • 33123-73-8
    • CS-0188301
    • BS-49918
    • E76258
    • Ethyl4,5-dimethyloxazole-2-carboxylate
    • SB36641
    • MFCD22689290
    • DB-315983
    • SCHEMBL2616845
    • Ethyl 4,5-dimethyloxazole-2-carboxylate
    • ethyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
    • MDL: MFCD22689290
    • Inchi: 1S/C8H11NO3/c1-4-11-8(10)7-9-5(2)6(3)12-7/h4H2,1-3H3
    • InChI Key: WUJJALUYISMRGX-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)OCC)=NC(C)=C1C

Computed Properties

  • Exact Mass: 169.07389321g/mol
  • Monoisotopic Mass: 169.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 1.7
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Melting Point: NA

4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Security Information

4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Pricemore >>

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4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester Related Literature

Additional information on 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester

Research Briefing on 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester (CAS: 33123-73-8) and Its Applications in Chemical Biology and Pharmaceutical Research

4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester (CAS: 33123-73-8) is a heterocyclic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This oxazole derivative serves as a key intermediate in the synthesis of various bioactive molecules, including potential drug candidates. The compound's unique structural features, such as the oxazole ring and ester functionality, make it a valuable building block for medicinal chemistry and drug discovery efforts.

Recent studies have explored the synthetic utility of 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester in the development of novel therapeutic agents. A 2023 publication in the Journal of Medicinal Chemistry demonstrated its use as a precursor for the synthesis of small-molecule inhibitors targeting protein-protein interactions (PPIs) involved in cancer progression. The researchers successfully modified the oxazole core to enhance binding affinity and selectivity for specific oncogenic targets, highlighting the compound's potential in anticancer drug development.

In the field of antimicrobial research, 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester has shown promise as a scaffold for designing new antibiotics. A recent study published in Bioorganic & Medicinal Chemistry Letters (2024) reported the synthesis of oxazole-containing analogs with potent activity against multidrug-resistant bacterial strains. The ethyl ester moiety was found to play a crucial role in improving the compounds' pharmacokinetic properties, including membrane permeability and metabolic stability.

The compound's mechanism of action and structure-activity relationships (SAR) have been the subject of ongoing investigations. Computational modeling studies have revealed that the 4,5-dimethyl substitution pattern on the oxazole ring contributes significantly to the compound's binding interactions with biological targets. These insights are informing the rational design of more effective derivatives with optimized pharmacological profiles.

From a synthetic chemistry perspective, recent advances have focused on developing more efficient and sustainable routes to produce 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester. A 2023 Green Chemistry publication described a novel catalytic system that enables the preparation of this compound with improved yields and reduced environmental impact. These methodological improvements are expected to facilitate broader access to this important building block for research and development purposes.

Looking ahead, 4,5-Dimethyl-2-Oxazolecarboxylic Acid Ethyl Ester continues to be a valuable tool in chemical biology research. Its applications extend beyond drug discovery to areas such as chemical probe development and target identification. As research progresses, we anticipate seeing more innovative uses of this compound in addressing challenging biological questions and unmet medical needs.

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