Cas no 1368006-57-8 (5-ETHYL-1,2-OXAZOLE-4-CARBALDEHYDE)

5-Ethyl-1,2-oxazole-4-carbaldehyde is a heterocyclic aldehyde compound featuring an oxazole core with an ethyl substituent at the 5-position and a formyl group at the 4-position. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. Its reactive aldehyde group allows for further derivatization through condensation, reduction, or nucleophilic addition reactions. The oxazole ring contributes to its stability and potential bioactivity, making it useful in medicinal chemistry research. The compound is typically handled under controlled conditions due to its sensitivity. Its purity and well-defined structure ensure reproducibility in synthetic applications.
5-ETHYL-1,2-OXAZOLE-4-CARBALDEHYDE structure
1368006-57-8 structure
Product Name:5-ETHYL-1,2-OXAZOLE-4-CARBALDEHYDE
CAS No:1368006-57-8
MF:C6H7NO2
MW:125.125281572342
CID:4593894
PubChem ID:82418879
Update Time:2025-05-21

5-ETHYL-1,2-OXAZOLE-4-CARBALDEHYDE Chemical and Physical Properties

Names and Identifiers

    • 5-ETHYL-1,2-OXAZOLE-4-CARBALDEHYDE
    • 4-Isoxazolecarboxaldehyde, 5-ethyl-
    • Inchi: 1S/C6H7NO2/c1-2-6-5(4-8)3-7-9-6/h3-4H,2H2,1H3
    • InChI Key: NWHPKHVPBVRNJX-UHFFFAOYSA-N
    • SMILES: O1C(CC)=C(C=O)C=N1

Computed Properties

  • Exact Mass: 125.047678466g/mol
  • Monoisotopic Mass: 125.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 105
  • 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: 0.7
  • Topological Polar Surface Area: 43.1?2

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Additional information on 5-ETHYL-1,2-OXAZOLE-4-CARBALDEHYDE

5-Ethyl-1,2-Oxazole-4-Carbaldehyde: A Comprehensive Overview

5-Ethyl-1,2-Oxazole-4-Carbaldehyde, with the CAS number 1368006-57-8, is a versatile organic compound that has garnered significant attention in the fields of organic synthesis and materials science. This compound, characterized by its oxazole ring and aldehyde functional group, exhibits unique chemical properties that make it a valuable building block in various applications.

The structure of 5-Ethyl-1,2-Oxazole-4-Carbaldehyde consists of an oxazole ring, a five-membered heterocycle containing one oxygen and one nitrogen atom, with an ethyl group attached at the 5-position and an aldehyde group at the 4-position. This arrangement imparts the molecule with both aromatic stability and reactivity, making it suitable for a wide range of chemical transformations.

Recent studies have highlighted the potential of 5-Ethyl-1,2-Oxazole-4-Carbaldehyde in drug discovery. Researchers have explored its role as a precursor in the synthesis of bioactive compounds, particularly those targeting specific enzymes or receptors. The aldehyde group provides a reactive site for condensation reactions, enabling the construction of complex molecular architectures with potential therapeutic applications.

In addition to its role in medicinal chemistry, 5-Ethyl-1,2-Oxazole-4-Carbaldehyde has found utility in materials science. Its ability to undergo various polymerization reactions has led to its use in the development of novel polymers and materials with tailored properties. For instance, recent research has demonstrated its application in the synthesis of conducting polymers, which hold promise for use in electronic devices and energy storage systems.

The synthesis of 5-Ethyl-1,2-Oxazole-4-Carbaldehyde typically involves multi-step processes that combine principles from heterocyclic chemistry and aldehyde synthesis. One common approach involves the cyclization of appropriately substituted precursors under controlled conditions to form the oxazole ring, followed by oxidation or other functionalization steps to introduce the aldehyde group.

From an environmental perspective, understanding the degradation pathways and ecological impact of 5-Ethyl-1,2-Oxazole-4-Carbaldehyde is crucial for its sustainable use. Recent studies have investigated its biodegradation under various conditions, providing insights into its environmental fate and potential risks.

In conclusion, 5-Ethyl-1,2-Oxazole-4-Carbaldehyde stands as a testament to the diversity and utility of heterocyclic compounds in modern chemistry. Its unique structure and reactivity continue to drive innovation across multiple disciplines, underscoring its importance as a key player in contemporary chemical research.

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