Reductive coupling of nitro compounds with boronic acid derivatives: an overview.

The purpose of this review is to summarize the current literature on reductive C-N coupling of nitro compounds and boronic acids, with special emphasis on the mechanistic features of the reactions. The metal-catalyzed reactions are discussed first. This is followed by electro-synthesis and organophosphorus-catalyzed reactions. Finally, the available examples of catalyst-free reactions will be covered at the end of this review.

A CMC-g-poly(AA-co-AMPS)/Fe3O4 hydrogel nanocomposite as a novel biopolymer-based catalyst in the synthesis of 1,4-dihydropyridines.

A CMC-g-poly(AA-co-AMPS)/Fe3O4 hydrogel nanocomposite was successfully designed and prepared via graft copolymerization of AA and AMPS on CMC followed by the cross-linking addition of FeCl3/FeCl2. The synthesized hydrogel nanocomposite was characterized by Fourier-transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray (EDX) spectroscopy, elemental mapping, thermogravimetric analysis/differential thermal analysis (TGA/DTA), and vibrating sample magnetometry (VSM). The CMC-g-poly(AA-co-AMPS)/Fe3O4 hydrogel nanocomposite was employed as a biocompatible catalyst for the green synthesis of 1,4-dihydropyridine (1,4-DHP) derivatives under thermal and ultrasound-assisted reaction conditions. High efficiency, low catalyst loadings, short reaction time, frequent catalyst recovery, environmental compatibility and mild conditions were found in both methods.

Investigation of the substituted-titanium nanocages using computational chemistry.

We are investigated substitution effects of titanium heteroatoms on band gap, charge and local reactivity of C20-nTin heterofullerenes (n = 1-5), at different levels and basis sets. The C18Ti2-2 nanocage is considered as the most kinetically stable species with the widest band gap of 2.86 eV, in which two carbon atoms are substituted by two Ti atoms in equatorial position, individually. The charges on carbon atoms of C20 are roughly zero, while high positive charge (1.256) on the surface of C19Ti1 prompts this heteofullerene for hydrogen storage. The positive atomic charge on Ti atoms and negative atomic charge on their adjacent C atoms implies that these sites can be influenced more readily by nucleophilic and electrophilic regents, respectively. We examined the usefulness of local reactivity descriptors to predict the reactivity of Ti-C atomic sites on the external surface of the heterofullerenes. The properties determined include Fukui function (F.F.); f (k) and local softness s (k) on the surfaces of the investigated hollow cages. Geometry optimization results reveal that titanium atoms can be comfortably incorporated into the CC network of fullerene. It is most likely associated with the triple-coordination characteristic of titanium atoms, which can well match with the sp2-hybridized carbon bonding structure. According to the values of f (k) and s (k) for the C15Ti5 heterofullerene; the carbon atoms in the cap regions exhibit a different reactivity pattern than those in the equatorial portion of the heterofullerene. The titanium impurity can significantly improve the fullerene's surface reactivity and it allows controlling their surface properties. The band gap of C20-nTin …..(H2)n structures is decreased with increasing n. Hence, C15Ti5 is found as the best hydrogen adsorbent.

Synthesis and evaluation of the antioxidant activity of new spiro-1,2,4-triazine derivatives applying Ag/Fe3O4/CdO@MWCNT MNCs as efficient organometallic nanocatalysts.

We applied the Petasites hybridus rhizome water extract as green media so that Ag/Fe3O4/CdO@ multi-walled carbon nanotubes magnetic nanocomposites (Ag/Fe3O4/CdO@MWCNTs MNCs) could be prepared. We also evaluated its activity by using in the one-pot multicomponent reaction of acetophenones, diethyl oxalate, ammonium acetate, and activated carbonyl compounds such as ninhydrin, isatin and acenaphthylene-1,2-dione, and malononitrile and hydrazoyl chlorides in an aqueous medium at room temperature for the generation of spiro-1,2,4-triazines as new derivatives with tremendous output. Moreover, reducing organic pollutants from 4-nitrophenol (4-NP) was carried out by generating Ag/Fe3O4/CdO@MWCNTs in water at room temperature. The results displayed that Ag/Fe3O4/CdO@MWCNTs reduced pollutants of organic compounds in a short time. The synthesized spiro-1,2,4-triazines have NH and OH functional groups having acidic hydrogen with high antioxidant power. Also, the spiro-1,2,4-triazines exhibited antimicrobial ability. For this purpose, the disk diffusion method was applied and two kinds of bacteria, Gram-positive and Gram-negative, were employed for the analysis. Furthermore, we applied functional theory-based quantum chemical methods in order to better understand reaction mechanism density. To generate spiro-1,2,4-triazines, the applied process showed many properties such as reactions with short time, products with good yields, and simple extraction of catalyst from a mixture of reactions.

Alkoxysulfenylation of alkenes: development and recent advances.

Among the wide variety of synthetic transformations of inexpensive and abundant feedstock alkenes, vicinal difunctionalization of carbon-carbon double bonds represent one of the most powerful and effective strategies for the introduction of two distinct functional groups into target compounds in a one-pot process. In this context, the direct alkoxysulfenylation of alkenes has emerged as an elegant method to construct valuable ß-alkoxy sulfides in an atom- and pot-economic manner utilizing readily accessible starting materials. Here, we review the available literature on this appealing research topic by hoping that it will be beneficial for eliciting further research and thinking in this domain.

Fe3O4@C@OSO3H as an efficient, recyclable magnetic nanocatalyst in Pechmann condensation: green synthesis, characterization, and theoretical study.

Novel sulfonated carbon-coated magnetic nanoparticles (SCCMNPs; Fe3O4@C@OSO3H) were designed, synthesized, characterized, and applied as an efficient nanocatalyst for green synthesis of coumarin derivatives through Pechmann condensation. The Fe3O4@C@OSO3H was manufactured through a simple and inexpensive two-step procedure and characterized by FTIR, EDX, XRD, SEM, TEM, DLS, VSM, and TGA techniques. It was identified as an efficient heterogeneous catalyst in the Pechmann condensation of phenol derivatives and ß-ketoesters, leading to high-yield coumarin derivatives under solvent-free conditions. The Fe3O4@C@OSO3H removed after reaction finishing point by an external magnet, and it was reused fifteen times at the same conditions. Besides, theoretical studies were carried out using B3LYP/6-311++G(d,p) to more consideration of the reaction mechanism. The study of the frontier molecular orbitals, NBO atomic charges, molecular electrostatic potential of reactants, as well as Pechmann condensation mechanism was known very useful in suitable reactant choice. The reaction was performed through the electrophilic attack, dehydration, and trans-esterification, respectively.