Cas no 885274-61-3 (4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester)

4-Oxazolecarboxylic acid, 2-(2-methylphenyl)-, ethyl ester is a specialized organic compound featuring an oxazole core substituted with a 2-methylphenyl group and an ethyl ester functionality. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The ethyl ester group enhances solubility in organic solvents, facilitating further derivatization, while the 2-methylphenyl substitution contributes to steric and electronic modulation. Its well-defined molecular architecture ensures consistent performance in heterocyclic chemistry applications, particularly in the construction of complex bioactive molecules. The compound is characterized by high purity and stability, meeting rigorous standards for research and industrial use.
4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester structure
885274-61-3 structure
Product Name:4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester
CAS No:885274-61-3
MF:C13H13NO3
MW:231.247223615646
CID:711148
PubChem ID:72208480
Update Time:2025-05-20

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

Names and Identifiers

    • 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester
    • 2-o-Tolyl-oxazole-4-carboxylic acid ethyl ester
    • ethyl 2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
    • Ethyl 2-(o-tolyl)oxazole-4-carboxylate
    • Ethyl2-(o-tolyl)oxazole-4-carboxylate
    • 885274-61-3
    • SCHEMBL15758899
    • A862017
    • AB27503
    • FT-0745294
    • DB-077597
    • Inchi: 1S/C13H13NO3/c1-3-16-13(15)11-8-17-12(14-11)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3
    • InChI Key: JRPHMKVRFMPJBU-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)OCC)N=C1C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 231.09000
  • Monoisotopic Mass: 231.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 269
  • 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: 2.9
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.33000
  • LogP: 2.82670

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4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester Related Literature

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

4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester (CAS No. 885274-61-3)

4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester (CAS No. 885274-61-3) is a versatile compound with significant potential in various fields of chemical and pharmaceutical research. This compound belongs to the class of oxazole derivatives, which are known for their diverse biological activities and applications in drug discovery and development.

The structure of 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester consists of an oxazole ring attached to a carboxylic acid moiety, which is further esterified with an ethyl group. The presence of the 2-methylphenyl substituent imparts unique chemical and physical properties to the molecule, making it a valuable intermediate in the synthesis of more complex organic compounds.

Recent studies have highlighted the importance of oxazole derivatives in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that certain oxazole derivatives exhibit potent anti-inflammatory and analgesic properties. The researchers found that these compounds can effectively inhibit the production of pro-inflammatory cytokines, making them promising candidates for the treatment of inflammatory diseases such as rheumatoid arthritis and Crohn's disease.

In addition to their anti-inflammatory properties, oxazole derivatives have also shown promise in the field of oncology. A study conducted by a team at the University of California, San Francisco, demonstrated that specific oxazole compounds can selectively target and inhibit cancer cell proliferation without affecting normal cells. This selective cytotoxicity is attributed to the ability of these compounds to disrupt key signaling pathways involved in cancer cell survival and growth.

The synthesis of 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester typically involves a multi-step process that begins with the formation of an intermediate oxazole ring followed by functional group modifications. One common synthetic route involves the condensation of a suitable amine with a carboxylic acid or its derivative to form the oxazole ring. Subsequent esterification with ethanol yields the final product. This synthetic pathway is well-documented in the literature and has been optimized for high yield and purity.

The physical properties of 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester include a molecular weight of approximately 239.27 g/mol and a melting point ranging from 65°C to 68°C. The compound is generally stable under standard laboratory conditions but should be stored away from strong oxidizing agents and excessive heat to prevent degradation.

In terms of safety, 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester is considered relatively safe when handled with appropriate precautions. However, it is important to follow standard laboratory safety protocols to minimize exposure and ensure safe handling. Personal protective equipment such as gloves, goggles, and lab coats should be worn during handling.

The applications of 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester extend beyond pharmaceutical research. In materials science, this compound has been explored as a functional monomer for polymer synthesis due to its reactivity and stability. Polymers derived from oxazole monomers have shown potential in various applications, including coatings, adhesives, and electronic materials.

In conclusion, 4-Oxazolecarboxylicacid, 2-(2-methylphenyl)-, ethyl ester (CAS No. 885274-61-3) is a multifaceted compound with significant potential in both pharmaceutical and materials science research. Its unique chemical structure and versatile properties make it an attractive candidate for further investigation and development into novel therapeutic agents and advanced materials.

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