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CAS 123770-62-7

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ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate

Description:
Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a hydroxymethyl group, which contributes to its reactivity and potential applications in organic synthesis. The ethyl ester functional group enhances its solubility in organic solvents, making it useful in various chemical reactions. The presence of the carboxylate moiety indicates that it can participate in esterification and other reactions typical of carboxylic acids. Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate is of interest in medicinal chemistry and may exhibit biological activity, although specific pharmacological properties would require further investigation. Its CAS number, 123770-62-7, allows for easy identification in chemical databases and literature. Overall, this compound's unique structure and functional groups make it a valuable intermediate in the synthesis of more complex molecules.
Formula:C7H9NO4
InChI:InChI=1S/C7H9NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,9H,2,4H2,1H3
InChI key:InChIKey=ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C(CO)ON1
Synonyms:
  • 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
  • 5-(Hydroxymethyl)isoxazole-3-carboxylic acid ethyl ester
  • Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
  • ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
  • 5-(hydroxymethyl)-3-isoxazolecarboxylic acid ethyl ester
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