Synthesizing azoles from ortho-substituted anilines, CO2 and H2 has proved difficult due to the low nucleophilicity of which hinders their N-formylation, i.e., first step reaction. Herein, we demonstrate that R3SnX Lewis acids (LA), N-methylmorpholine (NMM) or DBU polyethyleneimine (PEI) N-formylmorpholine efficiently catalyse synthesis benzimidazole other by reductive coupling nucleophilic ami...

A mixture of solid KOH in dimethyl sulfoxide has a strong basicity, but only a low nucleophilicity and is used for Q methylation of ketones. With this simple and inexpensive reagent complete methylation with yields up to 90% can be achieved. Solid KOH in dimethyl sulfoxide (DMSO) is a very strong base with a pKa-value of 27 or even higher. l-3 On the other hand, the nucleophilicity of this reag...

Recently we reported the preparation and properties of some 2-(2or · 3-furyl)benzothiazoles1• Like many other thiazoles2 , due to their weak basic character they can give quaternary salts. Comparing 2-(2-methyl-3-furyl)benzothiazoles with the 2-(5-methyl-2-furyl) analogue it was observed that the nucleophilicity (and basicity) of benzothiazole nitrogen is influenced by the position of the methy...

In this paper, quantum chemical parameters at density functional theory (DFT) B3LYP/6-31G** (d,p) level of theory were calculated for three organic corrosion inhibitors [N-benzoyl-N-(p-aminophenyl) thiourea, N-benzoyl-N-(thiazole) thiourea and N-acetyl-N-(dibenzyl) thiourea. The calculated molecular descriptors such as the HOMO, LUMO, dipole moment, chemical potential (μ), chemical hardness (ղ)...

Thymidylate, a vital DNA precursor, is synthesized by thymidylate synthases (TSs). A second class of TSs, encoded by the thyX gene, is found in bacteria and a few other microbes and is especially widespread in anaerobes. TS encoded by thyX requires a flavin adenine dinucleotide prosthetic group for activity. In the oxidative half-reaction, the reduced flavin is oxidized by 2'-deoxyuridine 5'-mo...