Cardiotonic agents: a crystallographic and quantum-chemical study of ethyl 5-cyano-1,6-dihydro-2-isopropyl-6-oxo-3-pyridine carboxylate and related compounds

Add time:08/08/2019    Source:sciencedirect.com

The X-ray structural characterization of ethyl 5-cyano-1,6-dihydro-2-isopropyl-6-oxo-3-pyridine carboxylate is reported. Its solid state conformation has been compared with that of ethyl 2-methyl- and 2-tert-butyl-5-cyano-1,6-dihydro-6-oxo-3-pyridine carboxylate and with the results of a quantum chemical analysis at MNDO level in order to study the structure-activity relationship. Theoretical data indicate that the 2-substituent appears to be primarily responsible for the potencies and the different inotropic activities (positive or negative) of compounds 1–3.

We also recommend Trading Suppliers and Manufacturers of Methyl 5-Ethyl-2-pyridine-carboxylate (cas 13509-14-3). Pls Click Website Link as below: cas 13509-14-3 suppliers

Prev:Synthesis, X-ray and spectroscopic analysis of 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Next:Diastereoselective synthesis of 3,4-disubstituted 5-(p-tolylsulfinyl)-5,6-dehydropiperidin-2-ones: chirality transfer in the enantioselective synthesis of ethyl (+)-(3S,4aS,7aS)-1-oxo-octahydro-1H-cyclopenta[c]pyridine-3-carboxylate)