CAS 1138444-13-9

1,1-Dimethylethyl 3-hydroxy-5-methoxy-4-pyridinecarboxylate

Description:

1,1-Dimethylethyl 3-hydroxy-5-methoxy-4-pyridinecarboxylate, identified by its CAS number 1138444-13-9, is an organic compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a carboxylate functional group, indicating it is a derivative of pyridinecarboxylic acid, and includes hydroxy and methoxy substituents that contribute to its chemical reactivity and potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its solubility and interaction with biological membranes. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of functional groups that can participate in various chemical reactions. Additionally, the specific arrangement of substituents may impart unique properties, such as antioxidant or anti-inflammatory activities, making it a subject of interest in medicinal chemistry. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₁H₁₅NO₄

InChI: InChI=1S/C11H15NO4/c1-11(2,3)16-10(14)9-7(13)5-12-6-8(9)15-4/h5-6,13H,1-4H3

InChI key: InChIKey=WTCHQCGVBIOVGX-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C=1C(OC)=CN=CC1O

Synonyms:

• 1,1-Dimethylethyl 3-hydroxy-5-methoxy-4-pyridinecarboxylate
• 4-Pyridinecarboxylic acid, 3-hydroxy-5-methoxy-, 1,1-dimethylethyl ester