CAS 1263378-53-5

1,1-Dimethylethyl 5-amino-3-phenyl-4-isoxazolecarboxylate

Description:

1,1-Dimethylethyl 5-amino-3-phenyl-4-isoxazolecarboxylate, identified by its CAS number 1263378-53-5, is a chemical compound characterized by its unique structural features. It contains an isoxazole ring, which is a five-membered heterocyclic compound with nitrogen and oxygen, contributing to its potential biological activity. The presence of the amino group enhances its reactivity and may influence its interaction with biological targets. The dimethyl group attached to the tert-butyl moiety provides steric hindrance, which can affect the compound's solubility and stability. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural motifs that are often associated with bioactive molecules. Additionally, the phenyl group can contribute to the compound's lipophilicity, potentially impacting its pharmacokinetics. Overall, the combination of these functional groups suggests that this compound may have interesting chemical and biological properties worthy of further investigation in research and development contexts.

Formula: C₁₄H₁₆N₂O₃

InChI: InChI=1S/C14H16N2O3/c1-14(2,3)18-13(17)10-11(16-19-12(10)15)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3

InChI key: InChIKey=KRGHXUJXBWFTAV-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C=1C(=NOC1N)C2=CC=CC=C2

Synonyms:

• 4-Isoxazolecarboxylic acid, 5-amino-3-phenyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 5-amino-3-phenyl-4-isoxazolecarboxylate
• 5-Amino-3-phenyl-isoxazole-4-carboxylic acid tert-butyl ester