The copper-mediated aromatic nucleophilic substitution reactions developed by Fritz Ullmann and Irma Goldberg required stoichiometric amounts of copper and very high reaction temperatures. Recently, it was found that addition of relatively cheap ligands (diamines, aminoalcohols, diketones, diols) made these reactions truly catalytic, with catalyst amounts as low as 1 mol% or even lower. Since t...

N,N-Diaryl aminostilbenes and N,N-diaryl aminostyrenes are versatile compounds that have found exciting applications in the field of photochemistry; most of these compounds are patented and they are widely used as electro-photographic photoconductors and photoreceptors. Recent reports have demonstrated, for example, that these compounds can exhibit an amino-conjugation effect in their fluoresce...

Nevirapine (NVP) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used against HIV-1. Currently, NVP is the most widely used anti-HIV drug in developing countries, both in combination therapy and to prevent mother-to-child transmission of HIV. Despite its efficacy against HIV, NVP produces a variety of toxic responses, including hepatotoxicity and skin rash. It is also associated wit...

The one-pot synthesis of symmetrical triaryl amines using aryl halides and 5-Methyl-1,3,4-Thiadiazole-2-Amine as a nitrogen-transfer reagent is reported. Copper oxide nanoparticles that does not require the presence of any additional ligand, improved rate and facility of the synthesis of triaryl amines. The introduction of a new N-source, using green solvents PEG/H2O, normal atmospheric conditi...

The Gibbs energy of reaction of oxidative addition of ammonia to an iridium complex in diethyl ether was calculated by seven density functional methods, in particular B3LYP, PBE, CAMB3LYP, M05, M06, M06-L, and oB97X. The calculated free energies, based on geometry optimization and frequency calculations in both the gas phase and solution, were compared with the experimental result, 1.3 kcal mol...

We have used dispersion-corrected DFT (DFT-D) together with solvation to examine possible mechanisms for reaction of PhX (X = Cl, Br, I) with Pd(P(t)Bu(3))(2) and compare our results to recently published kinetic data (F. Barrios-Landeros, B. P. Carrow and J. F. Hartwig, J. Am. Chem. Soc., 2009, 131, 8141-8154). The calculated activation free energies agree near-quantitatively with experimental...