Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes

Novel nickel(ii) complexes [Ni(P,P)X2] = [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, are prepared, characterized by IR and NMR spectroscopy, mass spectrometry and X-ray crystallography, and tested as catalysts in the Kumada cross-coupling reaction.

SYNTHESIS OF 2-NITRO-1,3-BIS(3,3’-DIHYDROXYMETHYL)-1,2,3-TRIAZOLYL-2-AZAPROPANE BY THE REACTION OF AZIDE-ALKYN CYCLOADDITION

2-Нитро-1,3-бис(3,3'-дигидроксиметил)-1,2,3-триазолил-2-азапропан (2-НДТАП) представляет интерес в качестве исходного вещества в синтезе высокоэнергетических соединений. В статье рассмотрен синтез 2-НДТАП реакцией азид-алкинового циклоприсоединения 1,3-диазидо-2-нитро-2-азапропана с пропаргиловым спиртом в среде трет-бутилового спирта в присутствии медного катализатора (проволока, порошок меди, оксид меди, нанооксид меди). Исследовано влияние катализатора и температуры процесса на его продолжительность, выход и качество продукта. Структура 2-НДТАП подтверждена методами ИК- и ЯМР-спектроскопии. В результате разработан метод получения 2-НДТАП с выходом 62 % и содержанием основного вещества выше 97 %. 2-Nitro-1,3-bis (3,3'-dihydroxymethyl)-1,2,3-triazolyl-2-azapropane (2-NDTAP) is of interest as a starting material in the synthesis of high-energy compounds. The article discusses the synthesis of 2-NDTAP the reaction of azide-alkyne cycloaddition 1,3-diazido-2-nitro-2-azapropane with propargyl alcohol in tert-butyl alcohol in the presence of a copper catalyst (wire, copper powder, copper oxide, nano copper oxide). The influence of the catalyst and the temperature of the process on its duration, yield and product quality has been investigated. The structure of 2-NDTAP was confirmed by IR and NMR spectroscopy. As a result, a method for obtaining 2-NDTAP with a yield of 62 % and a basic substance content of more than 97 % was developed.

ULTRASOUND-ASSISTED SYNTHESIS OF NOVEL 3-(PYRIDINYLAMINO)-1-FERROCENYLPROPAN-1-ONES

In this work we will report the formulation of novel 3-(pyridinylamino)-1-ferrocenylpropan-1-ones. A fruitful aza-Michael addition of pyridinamine moiety to a conjugated enone, 1-ferrocenylpropenone, has been accomplished by an ultrasonic irradiation of the mixture of these reactants. As the catalyst montmorillonite K-10 has been used and the reaction has been carried out as solvent-free, yielding ferrocene containing Mannich bases, compounds considered as important precursors in organic synthesis. The reaction score has been evaluated on three examples. The prepared products have been purified by column chromatography. In addition, a detailed characterization of the obtained 3-(pyridin-2-ylamino)-1-ferrocenylpropan-1-on and 3-(pyridin-3-ylamino)-1-ferrocenylpropan-1-on has been completed by IR and NMR spectroscopy, as well as elemental analyses.

Microwave Assisted Synthesis and Antibacterial Evaluation of 1, 3, 4-Thiadiazole Derivatives

1,3,4-Thiadiazole is an important heterocyclic moiety, forms an integral core structural component of different categories of drugs such as antimicrobial, antitubercular, anti-inflammatory, antiepileptic, antiviral, antineoplastics, and analgesic agents. It is a key moiety in current discovery and designing of new drugs. The compounds were synthesised by both conventional method and microwave method. The targeted derivatives can be synthesised in a shorter time under microwave condition than under conventional reaction condition. Their structures were confirmed by FT-IR and NMR Spectroscopy. Antibacterial property of two synthesised analogs were evaluated by Agar well diffusion method against Escherichia coli and Staphylococcus aureus. The results of antibacterial activity showed that both the compounds were active against Staphylococcus aureus and inactive against Escherichia coli. Results of invitro studies showed that modifications in SB-2-PHB and SB-8-PHB will make it as a promising lead molecule for further research.

Induced Nematic Phase of New Synthesized Laterally Fluorinated Azo/Ester Derivatives

A new series of laterally fluorinated mesomorphic compounds, namely 2-fluoro-4-((4-(alkyloxy)phenyl)diazenyl)phenyl 4-substitutedbenzoate (Inx) were prepared and evaluated for their mesophase behavior. The synthesized series constitutes five members that possess different terminally attached polar groups (X). Their molecular structures were confirmed by elemental analyses and both FT-IR and NMR spectroscopy. Examination of the prepared derivatives was conducted via experimental and theoretical tools. Mesomorphic investigations were carried by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). DSC and POM measurements indicated that except for the un-substituted analogue, all other derivatives were purely nematogenic, possessing their nematic (N) mesophase enantiotropically. This is to say that insertions of terminal polar substituents on their mesogenic structures induced the N phase. In addition, the location of lateral and terminal polar moieties played a considerable role in achieving good thermal N stability. Computational calculations were investigated to determine the deduced optimized molecular structures. Theoretical data indicated that both size and polarity of the terminal substituent (X) have essential impact on the thermal parameters and optical properties of possible geometries.

Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders

(1) Background: The research aims to find new treatments for neurodegenerative diseases, in particular, Alzheimer’s disease. (2) Methods: This article presents a bioinformatics and pathology study of new Schiff bases, (EZ)-N′-benzylidene-(2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide derivatives, and aims to evaluate the drug-like, pharmacokinetic, pharmacodynamic and pharmacogenomic properties, as well as to predict the binding to therapeutic targets by applying bioinformatics, cheminformatics and computational pharmacological methods. (3) Results: We obtained these Schiff bases by condensing (2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide with aromatic aldehydes, using the advantages of microwave irradiation. The newly synthesized compounds were characterized spectrally, using FT-IR and NMR spectroscopy, which confirmed their structure. Using bioinformatics tools, we noticed that all new compounds are drug-likeness features and may be proposed as potentially neuropsychiatric drugs (4) Conclusions: Using bioinformatics tools, we determined that the new compound 1e had a high potential to be used as a good candidate in neurodegenerative disorders treatment.

Preparation and Study Biological Activity of Polybarbiturate Linked Tetrazole Ring

A series of new polymer of barbiturate containing tetrazole ring were synthesized by Click polymerization between diazido and dinitrile derivatives in the existence of NH4Cl as catalyst. The polymers structure were confirmed by several techniques, IR and NMR spectroscopy. The end polymers possess high solubility at room temperatures in aprotic polar solvents for example DMSO and DMF. Thermal properties and stability of the new polymers were analyzed by using two thermal analysis are (TGA) and (DSC) which showed that the polybarbiturate containing tetrazole ring possess Tg value (149–187°C) and excellent thermal stability. The new polytetrazole polymers were screened antibacterial activity by using some kinds strains of Gram-negative and Gram-positive bacteria. The tested polymers displayed good significant against these bacteria.

PROPERTIES OF MEMBRANES BASED ON 1-VINYL-1,2,4-TRIAZOL AND VINYL SULPHONIC ACID SODIUM SALT

The composition and structure of the membrane based on the acid-base method of elemental analysis, IR and NMR spectroscopy were studied. The ion-exchange capacity, proton con ductivity, activation energy, and thermogravimetric analysis of the resulting membranes were studied

Complex H-bonded silanol network in zeolites revealed by IR and NMR spectroscopy combined with DFT calculations

The amount and location of acid sites (strong Brønsted and weak silanols) in zeolites are crucial for their applications. In this work we revealed the enigma of the complex H-bonded...