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CAS 517870-22-3

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Methyl 5-(1,1-dimethylethyl)-3-isoxazolecarboxylate

Description:
Methyl 5-(1,1-dimethylethyl)-3-isoxazolecarboxylate, identified by its CAS number 517870-22-3, 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 a methyl ester functional group, contributing to its reactivity and solubility in organic solvents. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its biological activity and interactions with other molecules. Methyl 5-(1,1-dimethylethyl)-3-isoxazolecarboxylate is often studied for its potential applications in pharmaceuticals and agrochemicals, particularly due to its unique structural properties that may confer specific biological activities. Its synthesis typically involves the reaction of isoxazole derivatives with appropriate carboxylic acids or their derivatives. As with many organic compounds, handling should be done with care, considering safety protocols to mitigate any risks associated with its chemical properties.
Formula:C9H13NO3
InChI:InChI=1S/C9H13NO3/c1-9(2,3)7-5-6(10-13-7)8(11)12-4/h5H,1-4H3
InChI key:InChIKey=CQDWJFBDDMURCZ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(C(C)(C)C)ON1
Synonyms:
  • 3-Isoxazolecarboxylic Acid, 5-(1,1-Dimethylethyl)-, Methyl Ester
  • Methyl 5-(1,1-dimethylethyl)-3-isoxazolecarboxylate
  • Methyl 5-tert-butyl-1,2-oxazole-3-carboxylate
  • Methyl 5-tert-butylisoxazole-3-carboxylate
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