The direct arylation of N-(2-pyridyl) substituted anilines is described. Arylation takes place in ortho position to the amine functionality and is directed by the pyridine N-substituent. Remarkably, N-arylation was never observed as a competing process even though conditions also suitable for Buchwald-Hartwig reactions were applied. The scope of the reaction was investigated in terms of aryl do...

Catalysis with phosphorus P(III) compo­unds (phosphorus trichloride and phospho­rous acid) in the acylation of aniline 3=hydroxy=2=naphthoic acid various media (toluene, octane, chlorobenzene, para=­xylene, ortho=xylene, ortho=chlorotoluene, mesitylene, pseudocumene, n.=deсan, ortho= di­chlo­ro­benzene, mixtures ortho=xylene nitrobenzene) upon boiling vigorous distillation water leads to format...

The metalloradical activation of ortho-benzallylaryl N-tosyl hydrazones with [Co(TPP)] (TPP=tetraphenylporphyrin) as the catalyst enabled the controlled exploitation of the single-electron reactivity of the redox non-innocent carbene intermediate. This method offers a novel route to prepare eight-membered rings, using base metal catalysis to construct a series of unique dibenzocyclooctenes thro...

The current work utilizes the ab initio density functional theory (DFT) to develop a molecular level of the mechanistic understanding on the phenol alkylation in the presence of a cation-exchange resin catalyst, Amberlyst-15. The catalyst is modeled with the benzene sulfonic acid, and the effect of this acid on olefins such as isopropene (i-Pr) and tributene (t-Bu) in a phenol solution mimics t...

Phospho sulfonic acid (PSA) synthesized as an environmentally safe and efficient solid acid catalyst, and it used for the synthesis of several 2-disubstituted benzimidazoles, 2-substituted benzoxazoles, and 2-substituted quinoxalines in ethanol as a green solvent at ambient temperature is described. (i) A very simple, green and efficient procedure for the synthesis of benzimidazole and also benz...

The mechanism of bacterial methanol dehydrogenase involves hydride equivalent transfer from substrate to the ortho-quinone PQQ to provide a C5-reduced intermediate that subsequently rearranges to the hydroquinone PQQH(2). We have studied the PQQ reduction by molecular dynamic (MD) simulations in aqueous solution. Among the five simulated structures, either Asp297 or Glu171 or both are ionized. ...