In this study, the response is derived, high-energy material 1-(4-nitrophenyl)-1H-Tetrazole (NPHT) with boron nitridenano-cages in different conditions of temperature, density functional theory methods were studied. for this purpose, the material on both sides were geometrically optimized, then the calculation of the thermodynamic parameters were performed on all of them. The amount of ΔH, ΔS a...

High Energy Materials is a term that is used for explosives, propellants and pyrotechnics. Explosives are used for military applications. 5-Picrylamino-1,2,3,4-tetrazole(PAT) is an explosive substance. In this study the reactions of the 5-Picrylamino-1,2,3,4-tetrazole(PAT) with nanostructures of fullerene and boron nitride nano-cages in different conditions of temperature, with density function...

Substitution effects are probed for novel N-heterocyclic stannylenes (NHSns), including 1,4-di(R)-tetrazole-5-stannylenes (1R), and 1,3-di(R)-tetrazole-5-stannylenes (2R), using B3LYP/6-311++G** level of theory. Nucleophilicity, multiplicity, and stability of 1R and 2R are calculated; with R = H, methyl, ethyl, i-propyl, t-butyl, Ph, OH, methoxy, NO2, CN and CF3. Asymmetric 2H appears more nucl...

Several novel methods for reliably carrying out the oligonucleotide synthesis via the phosphoramidite strategy have been developed. The first is the method using allyloxycarbonyl and allyl groups for the protection of nucleoside bases and internucleotide linkages, respectively. These protectors can be cleanly removed under almost neutral conditions with a mixture of an organic Pd(0) complex suc...

The synthesis of several carbazole-bis(triazole) (CzTrR) and carbazole-bis(tetrazole) (CzTR) ligands (5a–d 6a–d, respectively, where R=Me (a), i–Pr (b), Bz (c) CH2-2,4,6-C6H2Me3 (d)) is reported. Reaction these with PdCl2 in refluxing acetonitrile affords the complete series square planar complexes, Pd(CzTrR)Cl (7a–d) Pd(CzTR)Cl (8a–d). analogous platinum complexes are prepared by deprotonation...

The linear amino acid-catalyzed direct asymmetric intermolecular aldol reaction is presented; simple amino acids such as alanine, valine, isoleucine, aspartate, alanine tetrazole and serine catalyzed the direct catalytic asymmetric intermolecular aldol reactions between unmodified ketones and aldehydes with excellent stereocontrol and furnished the corresponding aldol products in up to 98% yiel...

Synthesis of a series of novel substituted benzimidazole derivatives by the condensation of ophenylenediamine (OPDA,) with Mandlic acid and subsequent reactions of the benzimidazole with different amino substituted is reported with reaction biphenyl tetrazole. All the compounds synthesized were screened for their potential anti-hypertensive properties,

A tetrazole-based traceless linker for Diels-Alder reactions on solid support which can be cleaved by Pd(0)-, Cu(I)- and Ag(I)-assisted nucleophilic displacements has been developed and applied to the solid-phase/traceless release synthesis of natural product inspired cis-decalins.