CAS 936549-96-1

Methyl 2-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-4-pyridinecarboxylate

Description:

Methyl 2-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-4-pyridinecarboxylate, with the CAS number 936549-96-1, is a chemical compound characterized by its complex structure, which includes a pyridine ring and a dimethylamino group. This compound typically exhibits properties associated with both pyridine derivatives and α,β-unsaturated carbonyl compounds. It is likely to be a polar molecule due to the presence of the pyridine nitrogen and the carbonyl group, which can engage in hydrogen bonding. The dimethylamino group contributes to its basicity and potential reactivity, making it a candidate for various chemical reactions, including nucleophilic additions. Additionally, the methyl ester functionality suggests that it may undergo hydrolysis to yield the corresponding carboxylic acid. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that can influence biological activity. As with many organic compounds, its stability, solubility, and reactivity can be influenced by environmental conditions such as pH and temperature.

Formula: C₁₂H₁₄N₂O₃

InChI: InChI=1S/C12H14N2O3/c1-14(2)7-5-11(15)10-8-9(4-6-13-10)12(16)17-3/h4-8H,1-3H3

InChI key: InChIKey=LFXWCSKUPVAECB-UHFFFAOYSA-N

SMILES: C(C=CN(C)C)(=O)C1=CC(C(OC)=O)=CC=N1

Synonyms:

• 4-Pyridinecarboxylic acid, 2-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, methyl ester
• Methyl 2-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-4-pyridinecarboxylate