A new zinc(II) complex with N2O2-tetradentate Schiff-base derived from pyridoxal-S-methylthiosemicarbazone: Synthesis, characterization, crystal structure, DFT, molecular docking and antioxidant activity studies was written by Poladian, Qumars;Sahin, Onur;Karakurt, Tuncay;Ilhan-Ceylan, Berat;Kurt, Yasemin. And the article was included in Polyhedron in 2021.Electric Literature of C8H10ClNO3 The following contents are mentioned in the article:
A new unsym. N2O2-tetradentate Schiff-base complex of zinc(II) was synthesized by the template reaction of pyridoxal-S-methylthiosemicarbazone and 2-hydroxy-4-methoxy-benzaldehyde as starting compounds S-methylthiosemicarbazone (1) and zinc(II) complex [Zn(L)CH3OH] (2) were characterized by elemental anal., FT-IR, UV-visible, 1H, and 13C NMR spectra. The mol. structure of 2 was determined by single crystal X-ray diffraction technique. The structure consists of a distorted square-pyramidal geometry around the central metal, Zn(II). Quantum chem. calculations were carried out using d. functional theory DFT/B3LYP, 6-31G (d), and LanL2DZ basis sets for theor. characterization of the compounds The exptl. and theor. data were compared comprehensively. The potential energy distribution (PED) anal. was performed for the assignment of vibration frequencies. In order to support in vitro studies, mol. docking studies were carried out so that the title compound can be an inhibitor of Epidermal Growth Factor Receptor (1 m17), and the relationship between calculated HOMO energies and docking studies was examined In addition, the total antioxidant capacity (as TEAC value) and free radical scavenging activity of the compounds were determined by Cupric Reducing Antioxidant Capacity (CUPRAC) and 1,1-diphenyl-2-picryl hydrazyl (DPPH) methods, resp. This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Electric Literature of C8H10ClNO3).
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Electric Literature of C8H10ClNO3
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts