One‐Pot stereoselective synthesis of trans‐4,5‐dialkoxy‐1,3‐bis (2‐pyrimidinyl)imidazolidines through a three‐component reaction

Stoichiometric reaction of 2‐aminopyrimidine with formaldehyde in the presence of formic acid catalyst in water gave N,N′‐bis(2‐pyrimidinyl)methanediamine ( 5 ). Subsequent cyclocondensation of 5 with glyoxal in alcohol (MeOH, EtOH, PrOH and i‐PrOH) under reflux conditions led to the formation of the corresponding 4,5‐dialkoxy‐1,3‐bis(2‐pyrimidinyl)imidazolidines ( 6a‐d ). 4,5‐Dihydroxy‐1,3‐bis(2‐pyrimidinyl) imidazolidine ( 6e ) was obtained when the reaction was carried out in acetonitrile. Based on ¹H NMR analysis, it was found that the trans‐dialkoxyimidazolidines ( 6 ) were selectively obtained in these cyclocondensation reactions.     

Wide range pH measurements using a single H(+)-selective chromoionophore and a time-based flow method

A hydrophilic transparent triacetyl cellulose membrane was adopted as a pH optode by immobilizing highly selective and sensitive Nile blue indicator on the membrane. Contrary to the common procedure for determinations using optodes, in which a steady state response is measured, a new approach is introduced in which the dynamic response of the optode is used as the analytical signal. While in common procedures, pH optodes exhibit limited linear dynamic range (often 2–4 pH units only), it is shown that in a time-based flow method, an optode with only one acid-base indicator can be used for measurement in the pH range of 0–10. The procedure is simple, inexpensive and rapid.     

Simple and Efficient Procedure for the Synthesis of Symmetrical Bis-Schiff Bases of 5,5′-Methylenebis(2-aminothiazole) Under Solvent-Free Conditions

A simple and efficient procedure for the synthesis of symmetrical bis-Schiff bases has been described that employs a condensation reaction of symmetrical primary bis-amine of 5,5′-methylenebis(2-aminothiazole) with a series of aromatic aldehyde derivatives under solvent-free conditions at elevated temperature. The advantages of these reactions are simplicity of the reaction procedure, short reaction times, simple workup, catalyst-free conditions, and pure products in good to excellent yields. Details of the reaction conditions are discussed.     

Solvent- and Catalyst-Free Synthesis of New Unsymmetrical Multidentate Thio-bis-aminophenol Ligands by Mannich Condensation

A one-pot, three-component, Mannich condensation of electron-rich aromatic compounds such as 5-methyl-2-hydroxyphenyl sulfide, 2-aminopyrimidine, and various aromatic aldehydes were used to prepare a series of new unsymmetrical multidentate aminophenol ligands. These compounds were synthesized in solvent-free conditions as a fast, simple, convenient, and uncatalyzed method. Details of the reaction conditions are discussed.     

Solvent-dependent reactions for the synthesis of β-keto-benzo-δ-sultone scaffolds via DBU-catalyzed O-sulfonylation/intramolecular Baylis-Hillman/1,3-H shift or dehydration tandem sequences

We have developed a solvent-dependent method for the synthesis of novel benzo-δ-sultone scaffolds. A variety of benzylbenzo[e][1,2]oxathiin-4(3H)-one-2,2-dioxides were obtained in high yields in DMF using a one-pot, DBU-catalyzed condensation of 2-hydroxybenzaldehydes with a number of (E)-2-phenylethenesulfonyl chlorides. On the other hand, the initially prepared 2-formylphenyl-(E)-2-phenylethenesulfonate derivatives underwent DBU-catalyzed reactions to a series of 3-[methoxy(phenyl)methyl]benzo[e][1,2]oxathiine-2,2-dioxides in moderate to good yields in MeOH. These reactions presumably proceed via DBU-catalyzed O-sulfonylation/intramolecular Baylis-Hillman/1,3-H shift or dehydration tandem sequences, respectively.     

Nonperturbative entangling gates between distant qubits using uniform cold atom chains

We propose a new fast scalable method for achieving a two-qubit entangling gate between arbitrary distant qubits in a network by exploiting dispersionless propagation in uniform chains. This is achieved dynamically by switching on a strong interaction between the qubits and a bus formed by a nonengineered chain of interacting qubits. The quality of the gate scales very efficiently with qubit separations. Surprisingly, a sudden switching of the couplings is not necessary. Moreover, our gate mechanism works for multiple gate operations without resetting the bus. We propose a possible experimental realization in cold atoms trapped in optical lattices and near field Fresnel trapping potentials.     

Dynamic behavior of nucleation in supercritical N2 foaming of polystyrene-aluminum oxide nanocomposite

In this study, dynamic behaviour of nucleation was investigated during foaming process of polystyrene in presence of nano aluminium oxide. Nano aluminium oxide played a role of a bubble nucleating agent within polystyrene matrix. Foaming process was visually observed in conjunction with supercritical N₂. Furthermore, the effect of nano Al₂O₃ compositions on the growth rate was studied. Also, final density per unit area and the average size in the latest growth steps were assessed. The obtained data were compared with foaming process for unfilled polystyrene under the same conditions. The results demonstrated that the final sizes of bubbles as well as the average cell density of the foam were reduced by using of nucleating agent. The growth rate of bubbles was also decreased by increasing the nano Al₂O₃ particles content. In addition, influence of temperature on foam density of nanocomposite specimens was greater than unfilled polystyrene foam. In presence of nano particle, the cell density was uniformly distributed in nanocomposites specimens. The article is published in the original.     

“On-water” one-pot four-component synthesis of novel 1H-furo[2,3-c]pyrazole-4-amine derivatives

Research on Chemical Intermediates - A catalyst-free, simple and green protocol has been accomplished for the synthesis of novel 1H-furo[2,3-c]pyrazole-4-amines in a one-pot four-component domino...     

A theoretical study of potential energy surface and some chemo-physical descriptors of Aspirin,Coupling the rotation of the ester and carboxyl groups

In this paper, the effect of the simultaneous rotation of the carboxyl (COOH) and ester (R'COOR) functional groups on the potential energy surface (PES) of aspirin is studied. Relative energies are reported at the HF/aug-cc-pVDZ and B3LYP/aug-cc-pVDZ levels of theory. To understand the activity and selected electrophilic attack sites, electric dipole moments, atomic charges, HOMO-LUMO energy gap, natural bond orbital (NBO), and molecular electrostatic potential (MEP) analyses, as well as the main structural parameters of the identified conformers, are studied at the same theoretical level. Finally, an NBO analysis is used to demonstrate charge transfer between lone pairs and localized bonds.