CAS 944900-79-2

1,1-Dimethylethyl N-(5-acetyl-2-pyridinyl)carbamate

Description:

1,1-Dimethylethyl N-(5-acetyl-2-pyridinyl)carbamate, identified by its CAS number 944900-79-2, is a chemical compound that belongs to the class of carbamates. This substance features a pyridine ring substituted with an acetyl group, which contributes to its potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially affecting its solubility and permeability in biological systems. The carbamate functional group is known for its reactivity and ability to form hydrogen bonds, which may influence the compound's interactions with enzymes or receptors. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry and agrochemical applications. However, specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise determination. As with many chemical substances, safety data sheets should be consulted for handling and toxicity information.

Formula: C₁₂H₁₆N₂O₃

InChI: InChI=1S/C12H16N2O3/c1-8(15)9-5-6-10(13-7-9)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,13,14,16)

InChI key: InChIKey=VXJHAANTFMDWBJ-UHFFFAOYSA-N

SMILES: C(C)(=O)C=1C=CC(NC(OC(C)(C)C)=O)=NC1

Synonyms:

• 1,1-Dimethylethyl N-(5-acetyl-2-pyridinyl)carbamate
• Carbamic acid, N-(5-acetyl-2-pyridinyl)-, 1,1-dimethylethyl ester