In the title compound, C 12 H 11 N 3 OS, the interplanar angle between the pyrazole and benzothiazole rings is 3.31 (7)°. In the three-dimensional molecular packing, the carbonyl oxygen acts as acceptor to four C—H donors (with one H...O as short as 2.25 Å), while one methyl hydrogen is part of the three-centre system H...(S, O). A double layer structure parallel to (\overline{1}01) can be recognized as a subsection of the packing.
The multi-component reaction of either acetoacetanilide derivative 1a or b with any of the aldehyde derivatives 2a-d and malononitrile 3 in the presence of triethylamine as a catalyst gave the 4H-pyran derivatives 4a-g, respectively. Carrying the same reaction but using a catalytic amount of ammonium acetate gave the 1,4-dihydropyridine derivatives 5a-f, respectively. The use of ethyl cyanoacetate instead of malononitrile in the presence of a catalytic amount of triethylamine gave the 4H-pyran derivatives 7a-d, respectively. Compound 4e was used to synthesize 1,4-dihydropyridine 9a-c and arylhydraone 11a-e derivatives were synthesized from 4a and e. The anti-tumor evaluations of the newly synthesized products were tested against six human cancer and normal cell lines. The results showed that compounds 4a, b, f, 5d, f, 9 and 11a-d had optimal cytotoxic effect against cancer cell lines with IC50<550 nM. The toxicity of the most active compounds was further measured against shrimp larvae.
The discharge of contaminants of emerging concern (CECs) into water streams is becoming a major global issue. Herein, novel nanoporous membranes of bio-based cellulose acetate, poly(lactic acid) and biodegradable polyurethane in-situ impregnated with catalytic cobalt nanoparticles were synthesized and tested for the removal of Methylene Blue (MB) and Congo Red (CR) dyes from water. The bio-based polymers supported the formation of a network hydrogen bonding among different functional groups as confirmed using FTIR, which improved the membrane stability. Porogen was used to create nanopores within the film bulk, which were used to impregnate the membranes with cobalt nanoparticles that ensured the adsorption, degradation and removal of the hazardous contaminants from polluted water. Up to almost 60% of each of MB and CR were removed under UV irradiation, while adsorption was well described by the Linear and Langmuir isotherms, respectively. The thermodynamic study showed that the adsorption process is dissociative and, thus, involves photocatalytic dye degradation. Both dyes exhibited the same overall rate of adsorption, but CR showed a faster diffusion rate as predicted by the intra-particle diffusion model. Loading the nanoparticles into a biopolymeric matrix could potentially reduce the risks of their environmental release as free particles in water effluents.
A range of microporous, imide-based polymers were newly synthesized using two-step poly-condensation reactions of bis(carboxylic anhydride) and various aromatic diamines for CO2 gas capture and storage applications. In this report, we attempted to assess the relative significance of molecular structural aspects through the manipulation of the conformational characteristics of the building blocks of the polymeric structures, the spiro-containing acid anhydride and the aromatic amines, to induce greater intrinsic microporosity and higher surface areas for the resulting solids. Results obtained from this study were thus used to outline a working relationship between the structural diversity of the constructed porous solids and their performance as CO2 sorbents.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.