Synthesis, Experimental and DFT Studies on the Crystal Structure, Ftir, ¹h NMR and 13c NMR Spectra of Drivatives of Dihydropyridines

Abstract

Several derivatives of dihydropyridines are prepared through the condensation of aldehydes, dimedone and NH 4 OAc in H 2 O, in the presence of a catalytic amount of nano-Fe 3 O 4 . The crystalline products were characterized by FTIR, 1 H NMR and 13 C NMR. Density Functional Theory (DFT) calculations at the B3LYP level is used to optimize the geometries of isolated molecules, and to calculate the, FTIR, 1 H NMR and 13 C NMR spectra of selected synthesized compounds. We found that the DFT B3LYP calculated FTIR, 1 H NMR and 13 C NMR spectra are in accordance with the experimental data.

Synthesis, Cytotoxic Activity and In Silico Study of Novel Dihydropyridine Carboxylic Acids Derivatives

“…These values agree with the reported range of 3300 to 2500 cm −1 , usually centered at 3000 cm −1 [53]. Finally, the weak band is probably due to the intramolecular hydrogen bond with a carbonyl group (ketone) [54]. Additionally, the C=O stretching intense band appearing at 1705 and 1611 cm −1 and 1703 and 1640 cm −1 are assigned to the carboxylic acid and ketone groups for 3a and 3b, respectively, which is consistent with the literature value, 1870-1540 cm −1 [53,55].…”

“…The bands C7-H and C5-H at 2942 and 2935 cm −1 are presented as weak bands for 3a and 3b, respectively. In this case, Karthick et al [61] detected values in the span of 2979-2978 cm −1 for 1,4-dihydropyridines, Kavitha and Verlaj [62] detected values between 3144 and 2900 cm −1 for this band for isoxazoles; Radder et al [51] reported the value at 3029 cm −1 for a benzonitrile derivative; and Fekri and Nikpassand [54] reported values comprising 3077-2987 cm −1 for dihydropryridine derivatives. Related to C=O bands, two carbonyl groups are presented: C=O for the carbonyl of the acid moiety, which is displayed at 1738 cm −1 for 3a and 1730 cm −1 for 3b as medium bands.…”

“…For C=O, the carbonyl of the ketone moiety is displayed as medium bands at 1621 cm −1 for 3a and 1617 cm −1 for 3b; this band is easily to identify due to higher strength and conjugation with the double bonds C5=C6 or C3=C4. Karthick et al [61] report this band at 1697-1685 cm −1 ; Fekri and Nikpassand [54] report it at 1657-1643 cm −1 for 1,4-dihydropyridines and at 1652 cm −1 for a benzonitrile derivative [51].…”

Adsorptive Removal of Pharmaceuticals and Personal Care Products from Water with Functionalized Metal-organic Frameworks: Remarkable Adsorbents with Hydrogen-bonding Abilities

“…2c confirm the grafting was successful based on the presence of the band at 1216 cm −1 , which originate from the C-N stretching of the grafting agents 52 . The band at 1540 cm −1 of the MIL-101-NO 2 is because of the stretching vibration of -NO 2 group 53 .…”

Green Synthesized Gold Nanoparticles Using Viola betonicifolia Leaves Extract: Characterization, Antimicrobial, Antioxidant, and Cytobiocompatible Activities

“…This indicates that the Viola betonicifolia leaf extract contains biologically active phytomolecules that are particularly effective at destroying fungal strains. 57 Additionally, the superior antifungal activity of VB-Au NPs can be due to the synergistic impact of the nanoparticle's physical properties and the adsorbed biologically active phytomolecules from the leaves extract of Viola betonicifolia on their surface [31][32][33][34][35]. Balasubramanian et al, Dananjaya et al, and Jayaseelan et al have also reported effective antifungal activity of gold NPs synthesized using the extract of Jasminum auriculatum, Spirulina maxima, Abelmoschus esculentus, respectively, against different fungal strains.…”