1604820-63-4Relevant academic research and scientific papers
Synthesis, crystal structure, DFT and antibacterial activity studies of (E)-2-benzyl-3-(furan-3-yl)-6,7-dimethoxy-4-(2-phenyl-1H-inden-1-ylidene)-1,2,3,4-tetrahydroisoquinoline
Murugavel,Manikandan,Lakshmanan,Naveen, Kanagaraj,Perumal, Paramasivan Thirumalai
, p. 3015 - 3020 (2015)
The title compound (I), (E)-2-benzyl-3-(furan-3-yl)-6,7-dimethoxy-4-(2-phenyl-1H-inden-1-ylidene)-1,2,3,4-tetrahydroisoquinoline (C37H31NO3), was synthesized and structurally characterized by elemental analysis, 1H NMR and 13C NMR and single crystal X-ray diffraction. In the compound, the N-containing six-membered ring of the tetrahydroisoquinoline unit adopts a distorted half-chair conformation. In the crystal structure, supramolecular chains mediated by C-H...O contacts along the b-axis are linked into a double layer via C-H...π hydrogen bonds. The resulting double layer stacks along the c-axis without any specific interactions. The molecular geometry was also optimized using density functional theory using (DFT/B3LYP) method with the 6-311G(d,p) basis set and compared with the experimental data. In addition to the optimized geometrical structure, molecular orbital, molecular electrostatic potential (MEP) and chemical reactivity studies of the compound have been investigated by using DFT. The antibacterial activity of the compound for various concentrations were determined against eight test pathogens Bacillus cerus, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Acinetobacter baumannii, Staphylococcus epidermidis, Klebsiella pneumoniae and Proteus vulgaris. The results revealed that the compound exhibited good to moderate antibacterial activity.
Synthesis of tetrasubstituted olefins by palladium-catalyzed double heck cyclization of bromoenynes
Naveen, Kanagaraj,Muralidharan, Doraiswamy,Perumal, Paramasivan Thirumalai
, p. 1172 - 1176 (2014/03/21)
Palladium-catalyzed regio-and stereoselective synthesis of tetrasubstituted olefins incorporating an indene scaffold was developed through 6-exo-dig carbocyclization followed by Heck cyclization with anti β-hydrogen elimination. The starting materials for
Synthesis of Tetrasubstituted Olefins by Palladium-Catalyzed Double Heck Cyclization of Bromoenynes
Naveen, Kanagaraj,Muralidharan, Doraiswamy,Perumal, Paramasivan Thirumalai
, p. 1172 - 1176 (2015/10/05)
Palladium-catalyzed regio- and stereoselective synthesis of tetrasubstituted olefins incorporating an indene scaffold was developed through 6-exo-dig carbocyclization followed by Heck cyclization with anti β-hydrogen elimination. The starting materials for the domino reaction were designed through an A3-coupling reaction.
