Cas no 23012-30-8 (Ethyl 2,4-dimethyloxazole-5-carboxylate)

Ethyl 2,4-dimethyloxazole-5-carboxylate is a heterocyclic ester compound featuring an oxazole core substituted with two methyl groups at the 2- and 4-positions and an ethyl carboxylate moiety at the 5-position. This structure imparts stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. Its electron-rich oxazole ring facilitates further functionalization, while the ester group allows for versatile transformations, such as hydrolysis or amidation. The compound exhibits good solubility in common organic solvents, enhancing its utility in reactions. Its well-defined molecular architecture ensures consistent performance in applications requiring precise heterocyclic frameworks.
Ethyl 2,4-dimethyloxazole-5-carboxylate structure
23012-30-8 structure
Product Name:Ethyl 2,4-dimethyloxazole-5-carboxylate
CAS No:23012-30-8
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD06254441
CID:268058
PubChem ID:315151
Update Time:2025-06-08

Ethyl 2,4-dimethyloxazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,4-dimethyloxazole-5-carboxylate
    • 5-Oxazolecarboxylicacid, 2,4-dimethyl-, ethyl ester
    • 2,4-Dimethyl-oxazol-5-carbonsaeure-aethylester
    • 2,4-dimethyl-oxazole-5-carboxylic acid ethyl ester
    • AC1L7R3A
    • ANW-44380
    • CTK4F0682
    • ethyl 2,4-dimethyl-oxazole-5-carboxylate
    • NSC238862
    • SureCN3274432
    • WT764
    • ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
    • EN300-99625
    • ETHYL2,4-DIMETHYLOXAZOLE-5-CARBOXYLATE
    • NSC 238862
    • 23012-30-8
    • WCUUOYNIEQTQIO-UHFFFAOYSA-N
    • BB 0238355
    • 2,4-Dimethyl-oxazole-5-carboxylic acid ethyl ester
    • A816486
    • AM86169
    • FT-0656650
    • ethyl 2, 4-dimethyl-1, 3-oxazole-5-carboxylate
    • Z1198168595
    • SY197265
    • SCHEMBL3274432
    • DTXSID80311141
    • 5-Oxazolecarboxylic acid, 2,4-dimethyl-, ethyl ester
    • AKOS000320124
    • NSC-238862
    • MFCD06254441
    • CS-0218057
    • CS-10486
    • oxazole, 5-ethoxycarbonyl-2,4-dimethyl-
    • ALBB-030048
    • STL388002
    • MDL: MFCD06254441
    • Inchi: 1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-6(3)12-7/h4H2,1-3H3
    • InChI Key: WCUUOYNIEQTQIO-UHFFFAOYSA-N
    • SMILES: O1C(C)=NC(C)=C1C(=O)OCC

Computed Properties

  • Exact Mass: 169.07393
  • 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

  • PSA: 52.33

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Additional information on Ethyl 2,4-dimethyloxazole-5-carboxylate

Ethyl 2,4-Dimethyloxazole-5-Carboxylate (CAS No. 23012-30-8): A Comprehensive Overview

Ethyl 2,4-dimethyloxazole-5-carboxylate, with the CAS number 23012-30-8, is a compound of significant interest in various fields of chemistry and material science. This compound belongs to the class of oxazole derivatives, which have been extensively studied for their unique chemical properties and potential applications in drug discovery, agrochemicals, and advanced materials. The structure of ethyl 2,4-dimethyloxazole-5-carboxylate consists of an oxazole ring substituted with two methyl groups at positions 2 and 4, and an ethyl ester group at position 5. This substitution pattern imparts the molecule with distinct electronic and steric properties, making it a versatile building block for further chemical modifications.

The synthesis of ethyl 2,4-dimethyloxazole-5-carboxylate typically involves multi-step reactions, often starting from simple precursors such as aldehydes or ketones. Recent advancements in catalytic methodologies have enabled more efficient and selective syntheses of this compound, reducing production costs and environmental impact. For instance, researchers have explored the use of transition metal catalysts to facilitate key steps in the synthesis process, such as cyclocondensation reactions or esterification.

One of the most notable applications of ethyl 2,4-dimethyloxazole-5-carboxylate is in the field of pesticide development. Its ability to inhibit specific enzymes involved in pest metabolism has made it a promising candidate for next-generation agrochemicals. Studies published in leading journals such as Journal of Agricultural and Food Chemistry have demonstrated its efficacy against a wide range of agricultural pests without causing significant harm to non-target species or the environment.

In addition to its pesticidal applications, ethyl 2,4-dimethyloxazole-5-carboxylate has shown potential in the pharmaceutical industry as a bioisostere or scaffold for drug design. Its oxazole ring provides a rigid framework that can be modified to target specific biological pathways or receptors. Recent research has focused on its role as a template for developing anti-inflammatory agents and anticancer drugs. For example, scientists at the University of California have reported that derivatives of this compound exhibit potent inhibitory activity against COX-2 enzymes, which are key players in inflammation-related diseases.

The environmental impact of ethyl 2,4-dimethyloxazole-5-carboxylate has also been a topic of interest among researchers. Studies conducted by environmental chemists have shown that this compound degrades relatively quickly under aerobic conditions, reducing its persistence in soil and water systems. However, further investigations are needed to fully understand its long-term effects on ecosystems and to develop strategies for minimizing its ecological footprint.

In conclusion, ethyl 2,4-dimethyloxazole-5-carboxylate (CAS No. 23012-30-8) is a versatile compound with a wide range of applications across multiple industries. Its unique chemical properties make it an invaluable tool for researchers and developers seeking innovative solutions in agriculture, medicine, and materials science. As ongoing studies continue to uncover new insights into its potential uses and environmental behavior, this compound is poised to play an even more significant role in shaping future advancements in these fields.

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