1615-00-5Relevant articles and documents
Synthesis, characterization, antimicrobial, cytotoxic, DNA-interaction, molecular docking and DFT studies of novel di- and tri-organotin(IV) carboxylates using 3-(3-nitrophenyl)2-methylpropenoic acid
Tariq, Muhammad,Khan, Rabbia,Hussain, Ajaz,Batool, Atia,Rasool, Faiz,Yar, Muhammad,Ayub, Kurshid,Sirajuddin, Muhammad,Ullah, Faizan,Ali, Saqib,Akhtar, Arusa,Kausar, Samia,Altaf, Ataf Ali
, p. 2407 - 2426 (2021/08/26)
One diorganotin(IV) [n-Bu2SnL2] (1) and two triorganotin(IV) carboxylates [n-Bu3SnL] (2) and [Ph3SnL] (3) [L = 3-(3-nitrophenyl) 2-methylpropenoic acid] were synthesized and characterized by elemental analysis, FT-IR and NMR (1H, 13C) spectroscopies. The geometry of complexes and binding mode of ligand were worked out through FT-IR and NMR spectroscopies. The ligand coordinate with Sn via carboxylato oxygen in monodentate fashion leading to four coordinated?geometries around Sn center. The effectiveness of complexes towards their antimicrobial and cytotoxic potential was evaluated and a significant extent of antimicrobial potential was observed with a few exceptions. Molecular docking studies were performed for these complexes to check their interaction with DNA. Results from this study revealed that these compounds can bind favorably with cisplatin binding site and targeting the major groove of DNA. The complex-DNA interaction study was also performed through UV-Vis spectroscopic technique and viscosity measurement, and the observed experimental results were well matched with theoretical results. Computational vibrational analysis, frontier molecular orbital (FMO), natural bond orbitals (NBOs), linear and non-linear optical (NLO) properties of ligand and complexes 1-3 were calculated by density functional theory (DFT) and time-dependent DFT (TDDFT) using CAM-B3LYP/6-31G (d,p) level of theory to evaluate spectroscopic, structural parameters and reactivity patterns.
Sodium tetraborate-dibenzo-18-crown ether-6 complex as reagent in the synthesis of cinnamic acids from aromatic aldehydes and aliphatic carboxylic acids
Chiriac, Constantin I.,Tanasa, Fulga,Nechifor, Marioara
experimental part, p. 419 - 423 (2012/01/03)
Cinnamic acids have been prepared in 74-81% yields by a new synthesis from aromatic aldehydes and aliphatic carboxylic acids in the presence of anhydrous sodium tetraborate-dibenzo-18-crown ether-6 complex as reagent, 4-dimethylaminopyridine as activating agent, pyridine as base, and N-methyl-2-pyrolidinone as solvent, at reflux (180-190°C) for 10-12 hours.
New boron reagents for designed organic synthesis. 2 cinnamic acids synthesis in the presence of sodium tetramethoxyborate-lithium chloride
Chiriac, Constantin I.,Tanasǎ, Fulga,Onciu, Marioara
, p. 627 - 631 (2007/10/03)
Cinnamic acids were prepared in good to high yields by Perkin reaction between aromatic aldehydes and aliphatic anhydrides in the presence of a boron compound, namely sodium tetramethoxyborate-lithium chloride, as a novel catalyst for this synthesis and N-methyl-pyrrolidin-2-one (NMP) as a solvent, at reflux (170-180°C) for 9-12 hours.