A series of oxime ethers with C₆-C₄ fragment was designed and virtually bioactively screened by docking with a target, then provided by a Friedel-Crafts reaction, esterification (or amidation), and oximation from p-substituted phenyl derivatives (Methylbenzene, Methoxybenzene, Chlorobenzene). Anti-hepatitis B virus (HBV) activities of all synthesized compounds were evaluated with HepG2.2.15 cel...

The carbene adducts 3a-c (R 1 = Me, Et, iso-Pr; R2 = Me) are formed from the 2,3-dihydroimidazol-2-ylidenes la-c and 1,2-dichloroethane as air-sensitive solids in good yields. The compounds exhibit a reactive Cl-Cl bond. Benzene is chlorinated by 3a,b to give chlorobenzene and the imidazolium salts 10a,b under mild conditions. 3c acts as a chloride donor to give with AICI3 and S 0 2 the 2-chlor...

Eight organo-iron ferrocene derivatives and arenocenium salts were prepared and evaluated by "in vitro" assay against one strain of Trypanosoma cruzi (Y). Six of the eight organo-iron compounds assayed, piperazinium diferrocenoate 1, eta(6)-(o-xylene)-eta(5)-(cyclopentadienyl) Iron(II) hexafluorophosphate 3, eta(6)-(mesitylene)-eta(5)-(cyclopentadienyl) iron(II) hexafluorphosphate 5, eta(6)-(du...

THE METHOD suggested here was developed to provide a rapid and simple yet reliable routine procedure for the determination of plasma concentrations of chiorpropamide (1-propyl-3-p-chlorobenzene sulfonylurea). It is based on the principle that sulfonyl ureas are degraded to an amine and presumably the corresponding sulfonamide when heated in an inert solvent under controlled conditions. The resu...

OBJECTIVES This study aimed to develop a physiologically based pharmacokinetic model for chlorobenzene and to investigate the effect of variation in exposure to chlorobenzene on the chlorobenzene concentration in blood and the urinary concentration of 4-chlorocatechol. METHODS A physiologically based pharmacokinetic model was developed and the simulated results of urinary 4-chlorocatechol con...

A combustion-driven flow reactor was used to examine the formation of chlorinated and non-chlorinated species from the thermal oxidation of chlorobenzene under post-flame conditions. Temperature varied from 725 to 1000 K, while the equivalence ratio was held constant at 0.5. Significant quantities of chlorinated intermediates, vinyl chloride and chlorophenol, were measured. A dominant C-Cl scis...

The rate of desorption of chemisorbed chlorobenzene molecules from the Si(111)-7 × 7 surface, induced by nonlocal charge injection from an STM tip, depends on the surface temperature. Between 260 and 313 K, we find an Arrhenius thermal activation energy of 450 ± 170 meV, consistent with the binding energy of physisorbed chlorobenzene on the same surface. Injected electrons excite the chlorobenz...

Cavitands, which are a class of compounds with deep open-ended cavities, are known to exhibit remarkable molecular recognition ability through host-guest interactions because of their unique structures. It is known that isotopic molecules can be differentiated in the small spaces provided by completely closed capsules in solution. To determine if this subtle molecular recognition ability extend...

The efficiencies of charge exchange reaction in dopant-assisted atmospheric pressure chemical ionization (DA-APCI) and dopant-assisted atmospheric pressure photoionization (DA-APPI) mass spectrometry (MS) were compared by flow injection analysis. Fourteen individual compounds and a commercial mixture of 16 polycyclic aromatic hydrocarbons were chosen as model analytes to cover a wide range of p...

The iodination of chlorinated aromatic compounds using Ag(2)SO(4)/I(2), AgSbF(6)/I(2), AgBF(4)/I(2) and AgPF(6)/I(2) offers access to iodoarenes that are valuable intermediates in organic synthesis. Specifically, iodination of phenols, anisoles and anilines with a 3,5-dichloro substitution pattern preferentially yielded the ortho, para and para iodinated product, respectively. In the case of ch...