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CAS 95104-47-5

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Ethyl 3-(hydroxymethyl)-5-methyl-4-isoxazolecarboxylate

Description:
Ethyl 3-(hydroxymethyl)-5-methyl-4-isoxazolecarboxylate, with the CAS number 95104-47-5, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This compound features an ethyl ester functional group, contributing to its solubility in organic solvents. The presence of a hydroxymethyl group enhances its reactivity, making it a potential candidate for further chemical modifications. The methyl groups in the structure can influence its steric properties and overall stability. Typically, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. Its synthesis often involves multi-step organic reactions, and it may be utilized in various applications, including medicinal chemistry and agrochemicals. As with many organic compounds, safety data sheets should be consulted for handling and storage guidelines, as well as potential hazards associated with its use.
Formula:C8H11NO4
InChI:InChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)13-9-6(7)4-10/h10H,3-4H2,1-2H3
InChI key:InChIKey=YEJLCENFADMRTA-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(CO)=NOC1C
Synonyms:
  • Ethyl 3-(hydroxymethyl)-5-methyl-4-isoxazolecarboxylate
  • 4-Isoxazolecarboxylic acid, 3-(hydroxymethyl)-5-methyl-, ethyl ester
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