CAS 1138444-19-5

1,1-Dimethylethyl N-(3-cyano-5-methoxy-4-pyridinyl)carbamate

Description:

1,1-Dimethylethyl N-(3-cyano-5-methoxy-4-pyridinyl)carbamate, identified by its CAS number 1138444-19-5, is a chemical compound that belongs to the class of carbamates. This substance features a pyridine ring substituted with a cyano and methoxy group, contributing to its potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its absorption and distribution in biological systems. The cyano group can participate in various chemical reactions, while the methoxy group may affect the compound's solubility and reactivity. This compound is of interest in medicinal chemistry and agricultural applications, particularly for its potential use as a pesticide or herbicide. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. As with many chemical substances, safety data and handling precautions are essential for its use in research or industrial applications.

Formula: C₁₂H₁₅N₃O₃

InChI: InChI=1S/C12H15N3O3/c1-12(2,3)18-11(16)15-10-8(5-13)6-14-7-9(10)17-4/h6-7H,1-4H3,(H,14,15,16)

InChI key: InChIKey=WXWGKRBGUTYZKD-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C=1C(C#N)=CN=CC1OC

Synonyms:

• 1,1-Dimethylethyl N-(3-cyano-5-methoxy-4-pyridinyl)carbamate
• Carbamic acid, N-(3-cyano-5-methoxy-4-pyridinyl)-, 1,1-dimethylethyl ester