Highly Efficient Solvent-Free Synthesis of Dihydropyrimidinones Catalyzed by Zinc Oxide

A simple, efficient and practical procedure for the Biginelli reaction using zinc oxid (ZnO) as a novel and reusable catalyst is described under solvent-free conditions in high yields. The use of this agent is characterized by remarkable reactivity, moderate costs, low toxicity and simple work up procedures.     

An Efficient Method for Production and Storage of Unstable S-Nitrosothiols Under Mild and Heterogeneous Condition with Sodium Nitrite and Oxalic Acid Dihydrate

Thiols can be readily converted to their corresponding nitrosothiols with a combination of oxalic acid and sodium nitrite in t-butanol at room temperature (26-30°C). The reaction mixture could be solidified with decreasing its temperature to, 15°C and was stored for several days without any destruction of the nitrosothiols.     

Novel Approach for the Synthesis of N-Substituted-4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-butyramides

A simple and convenient method for the synthesis of N-substituted-4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-butyramides has been reported. Several aromatic and aliphatic amide derivatives of 4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-butyric acid were prepared in 60–81% yields by refluxing it with different phosphazo compounds in toluene for approximately 1 h.     

High‐Efficiency Conversion of Trimethylsilyl Ethers to Their Corresponding Ethers using Carbon‐Based Solid Acid as a New Catalyst in Heterogeneous Mixtures

Carbon‐based solid acid was used as a new catalyst for conversion of trimethylsilyl ethers to their corresponding ethers in heterogeneous mixtures. The experiments were done moderately at room temperature, and high yields in suitable times were obtained under these conditions.     

KG-60-Piperazine as a New Heterogeneous Catalyst for Gewald Three-Component Reaction

Piperazine supported on amorphous silica (KG-60-piperazine) as a basic catalyst acts in the Gewald three-component reaction of some aldehydes and ketones with malononitrile as well as ethyl cyanoacetate. The catalyst shows general utility with a variety of starting carbonyl compounds. Moreover, the catalyst can be reused for four additional cycles without significant loss of the activity.

Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications® to view the free supplemental file.     

Trifluoroacetic Acid as an Efficient Catalyst for One-Pot,Four-Component Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Under Microwave-Assisted,Solvent-Free Conditions

An efficient method for synthesis of various tetrasubstituted imidazoles, using trifluoroacetic acid (TFA) as a catalytic support, by four-component condensation of benzil, aldehydes, amines, and ammonium acetate under microwave-irradiated, solvent-free conditions is described.     

Microwave Assisted Synthesis of Dibenzoxazepines

Dibenzo[b,f][1,4]oxazepine derivatives were synthesized in good yields and short reaction times by the reaction of 2‐chlorobenzaldehydes and 2‐aminophenoles in basic conditions under microwave irradiation.     

Aggregation modes of the spin mono-labeled tylopeptin B and heptaibin peptaibiotics in frozen solutions of weak polarity as studied by PELDOR spectroscopy

The X band PELDOR spectroscopy was used to investigate the magnetic dipole-dipole interactions in glassy solutions of nitroxide mono-labeled tylopeptin B and heptaibin peptaibiotics at 77 K. Specifically, a study was performed of the tylopeptin B peptides labeled at either position 3, 8, or 13, denoted as T3, T8, and T13, respectively. The heptaibin analogs labeled at either position 2 or 14, denoted as H2 and H14, respectively, were also investigated. It was shown that in frozen glassy peptide solutions in methanol, the spin labels are randomly distributed over the solvent volume. This result points to the absence of specific dipolar interactions between the peptides under these conditions. However, peptide aggregation was detected in weakly polar methanol/toluene environments. To study the properties of the resulting aggregates, we examined the depth of modulation for the PELDOR traces as a function of the concentration of the peptides in solution and the distances between the spin labels in the aggregates. Based on the concentration dependencies, the number of peptide molecules in the aggregates was estimated. We find that this value ranges from 2 to 3, depending on the position of the spin label in the peptide sequence. The combined analysis of the distance spectra and the number of peptide molecules in the aggregates allows us to suggest that dimer formation is the prevailing mode of self-association. In the case of spin-labeled tylopeptin B, the molecules in the dimer are head-to-head oriented. In addition, the distance spectra of the aggregates show that the C-termini of the molecules in the tylopeptin B dimer are more mobile than the Ntermini. This phenomenon leads to an increase in the spread of the distances between the nitroxides as the label position is approaching the peptide C-terminus. For heptaibin, we show that two forms of dimerization (head-to-head and head-to-tail) occur. Finally, in addition to dimers, aggregates containing 3 or 4 peptide molecules, which give broad lines in the distance spectra, are seen in solution.     

Computational study of substituent effect in para substituted platinabenzene complexes

The electronic structure and properties of the platinabenzene and para substituted platinabenzenes have been investigated using the hybrid density functional mpw1pw91 theory. The substituent effect in structure parameters, frontier orbital energies, aromaticity indexes, and hyperpolarizability has been studied. The calculations show that, in all molecules HOMO → LUMO transition makes the major contribution in the most intense electronic transition.