Synthesis, Spectroscopic and Docking Studies of Napthyl Substituted Di-Spiro Octahydroindolizine

摘要

The crystal structure of spiro[2.2"]acenaphthene-1"-onespiro[3.3']-5'-(naphthylmethylidine)-1'-methylpiperidin-4'-one-4-(naphthyl)octahydroindolizine has been elucidated by modern spectroscopic technique including, 1H and 13C NMR spectroscopy and unequivocally confirmed by single crystal X-ray diffraction. The title compound C45H38N2O2, crystallizes in the tetragonal system, space group I41/a with a=39.692(5) ?, b= 39.692(5) ?, c= 8.793(5) ?, α = β = γ = 90°, V = 13852.98(83) A3. The central piperidine ring adopts twisted conformation, the piperidine of octahydroindolizine ring is in chair conformation and the pyrrole ring is in slightly twisted envelope conformation. Details of the synthesis, NMR, crystal structure determination and intra-molecular interaction of the compound are given. The molecular docking study of synthesized compound with an enzyme, namely, N-acetyl-gamma-glutamyl-phosphate reductase that is involved in arginine biosynthesis in M. tuberculosis (MtbAGPR) has also been carried out.