Current organic synthesis最新文献

Introduction: Pyrazolo-quinolinones (PQs) are a versatile class of Organic chemistry and it was found that they have very advanced functionally promising as selective compounds due to their scaffold and demonstrated low toxicity and considerable clinical promise. Moreover, these compounds have an important role in different applications such as analytical reagents, technical, pharmaceutical development, and biological markers. So, we aimed to synthesize and characterize new 4-(Het)aryl-substituted Pyrazole-quinolinones.

Method: Synthesis of One-Pot Multicomponent Reaction was carried out with the reaction of 5-amino-3-methyl-1H-pyrazole 1a, and 5-amino-3-phenyl-1H-pyrazole 1b and dimedone 2 with some (het)aryl aldehydes 3 using ethanol. Characterizations such as the linear structures and the regiospecificity of the reactions were determined by using NMR, GC-MS, IR, and UV measurements.

Conclusion: This research will be very useful for all methods and procedures using multi-one-point reactions which are very popular in the synthesis of heterocyclic systems for pyrazole- quinoline skeleton synthesis.

Background: The concept of Hückel molecular orbital theory is used to compute the graph energy numerically as well asnd graphically, on the base of the status of a vertex.

Objective: Our aim is to explore the graph energy of various graph families on the base of the status adjacency matirx matrix and its Laplacian version.

Method: We opt for the technique of finding eigenvalues of adjacency and Laplacian matrices constructed on the base of the status of vertices.

Results: We explore the exact status sum and Laplacian status sum energies of a complete graph, complete bipartite graph, star graphs, bistar graphs, barbell graphs and graphs of two thorny rings. We also compared the obtained results of energy numerically and graphically.

Conclusion: In this article, we extended the study of graph spectrum and energy by introducing the new concept of the status sum adjacency matrix and the Laplacian status sum adjacency matrix of a graph. We investigated and visualized these newly defined spectrums and energies of well-known graphs, such as complete graphs, complete bi-graphs, star graphs, friendship graphs, bistar graphs, barbell graphs, and thorny graphs with 3 and 4 cycles.

Background: The emergence of drug-resistant bacteria and multidrug-resistant diseases, both of which are associated with high mortality, has posed a serious global health issue. Thiazoles and coumarins were reported as antimicrobial agents.

Objective: This research paper aims to describe the synthesis of some novel thiazole derivatives bear-ing a coumarin residue as antibacterial agents Methods: The thiazole - coumarin hybrids were synthesized starting from the condensation of 3-acetyl coumarin (1) hydrazine carbothioamide (2) or thisemicarbazide then reacting the resulting products with different p-substituted phenacyl bromides (4a-e), hydrazonoyl chlorides (8a-e), and (11). In vitro antibacterial activity was studied in this work. In addition, molecular docking studies for the new compounds have also been carried out to investigate the binding mode of actions against the target DNA gyrase B.

Results: Some of the newly synthesized compounds such as compounds 10b, 7, and 6b showed pronounced activities against Gram (+ve) and Gram (-ve) bacteria compared to a reference antibacterial agent. Compounds 10b, 7, and 6b exhibited the best binding affinity against the target.

Conclusion: We could obtain a series of precious hitherto unknown thiazole derivatives with varied antibacterial activities from cheap laboratory-available starting material following rather simple environmentally friendly techniques avoiding the use of hazardous or heavy metal-containing catalysts.

Background: In connection with the study of chemical graph theory, it has been explored that a single number can capture the numerical representation of a molecular structure, and this number is known as a topological property (index).

Objective: This study aimed to explore a few Zagreb topological properties for four hexa organic molecular structures (hexagonal, honeycomb, silicate, and oxide) based on the valency and valency sum of atoms in the structure.

Methods: We employed the technique of partitioning the set of bonds according to the valency and valency-sum of end atoms of each bond and then performed the computation by using combinatorial rules of counting (that is, the rule of sum and the rule of product). The obtained results were also compared numerically and graphically.

Results and conclusion: Exact values of five valencies based and five valency-sum-based Zagreb topological properties were found for the underline chemical structures.

Fermentation is being utilized since ages as a safe process for food preservation. Fermentation in winemaking is the process which converts grapes juice into wine. Alcoholic fermentation is the principle for the manufacturing of alcoholic beverages like wine and beer. Several by-products are produced by the alcoholic fermentation of organic carbon sources by Saccharomyces cerevisiae. The secondary bacterial fermentation is malolactic fermentation which is carried out in most red and some kinds of white wines. Malolactic fermentation causes acid reduction, flavor modification, and also is accountable for microbial stability. The present searching was carried out by the keywords in major indexing systems including PubMed/MEDLINE, Scopus, Institute for Scientific Web of Science and the search engine of Google Scholar. The keywords were alcoholic fermentation, malolactic fermentation, bottle fermentation, carbonic maceration, Saccharomyces, Lactobacillus, Oenococcus oeni, aromatic substances, flavour quality, terpenes, esters, lactones, aldehydes, organic acid, pyrazines, mercaptans, and traditional fermented food. This review was done to highlight the significance, and introduce different kinds of fermentations carried out in wine-making process, specially alcoholic and malolactic fermentation, survey on aromatic substances, flavour quality, and organic acids, and introduce the most notable traditional fermented food in China.

The thiazole derivatives as important members of heterocyclic compounds have attracted much synthetic interest due to their different biological properties. In recent years, studies on the synthesis of morpholine compounds have increased because of the properties of this core. In particular, the hybrid structures in which the thiazole ring is linked to morpholine nuclei in one molecular frame have gained popularity. The presented review is an attempt to summarize a huge volume of data on morpholinothiazoles being a widely studied class of these molecules used in modern organic and medicinal chemistry. The manuscript covers the approaches to the synthesis of the morpholinothiazoles derivatives. The synthetic strategies of the target compounds depend on one-pot or multistage reactions or the transformation of other related heterocycles. Additionally, we covered the biological activities and other applications of certain morpholinothiazoles. The information on these compounds made special consideration of medicinal chemists to yield a combinatorial library and carry out thorough efforts in the search of morpholinothiazoles.

Background: Porphyrins are highly conjugated heterocyclic compounds and are found as the backbone of many natural products such as heme and chlorophyll. To improve its biological and optical properties, the functionalization of porphyrin at its β- and meso-position has gained importance in recent years.

Objective: The purpose of this review is to describe the Pictet-Spengler method for the incorporation of nitrogenous and biologically important heterocyclic scaffolds such as pyrrolo-/indolo[1,2-a]quinoxaline, pyrrolo[1,2-a]pyrazine, and quinoline at the β- and meso-positions of the porphyrins to increase π-conjugation and improve their biological, optical, and electrochemical properties.

Conclusion: This review provides a comprehensive overview of the synthesis of N-heterocyclic extended porphyrins and metalloporphyrins via a modified Pictet-Spengler approach. The synthesized porphyrins were found to be highly conjugated and exhibited improved photophysical properties compared to their parent analogues. Moreover, the review article provided a brief overview of the Pictet-Spengler procedure, including product yields, reaction conditions, photophysical properties of the synthesized products, and potential applications in a variety of fields.

Background: 1,3-Diphenylpropane-1,3-dione (1) is an acetylacetone β-diketone in which both of the methyl groups have been replaced with phenyl groups. It is a component of licorice root extract (Glycyrrhiza glabra) and has anti-mutagenic and anti-cancer properties. It functions as a metabolite, an anti-mutagen, and an anti-neoplastic agent. It is an aromatic ketone and a β-diketone. 1,3-Diphenylpropane-1,3-dione (1) is primarily used in PVC hard and soft materials, including plates, films, profiles, pipes, and fittings.

Objectives: This research aims to examine the utility of 1,3-diphenylpropane-1,3-dione (1) for the synthesis of a variety of new heterocyclic compounds, such as thioamide, thiazolidine, thiophene-2-carbonitrile, phenylthiazole, thiadiazole-2-carboxylate, 1,3,4-thiadiazole derivatives, 2-bromo-1,3-diphenylpropane-1,3-dione, new substituted benzo[1,4]thiazines, phenylquinoxalines, and imidazo[1,2-b][1,2,4]triazole derivatives of potential biological activity Methods: 1,3-Diphenylpropane-1,3-dione (1) was used as a starting compound for the synthesis of 3-oxo-N,3-diphenyl-2-(phenylcarbonyl)propanethioamide (3) and 2-bromo-1,3-diphenylpropane-1,3-dione (25), which can be used for further preparations. The 5α-reductase inhibitor activity of some of the synthesized compounds was also tested in vivo; the ED50 and LD50 data were established, Results: Using IR, 1H-NMR, mass spectroscopy, and elemental analysis, the structures of all produced compounds were elucidated. Some of these prepared compounds were reported as 5α-reductase inhibitors.

Conclusion: New heterocyclic compounds can be formed via 1,3-diphenylpropane-1,3-dione (1), and some of these compounds can act as 5α-reductase inhibitors.

Background: Chemical graph theory is a sub-branch of mathematical chemistry, assuming each atom of a molecule is a vertex and each bond between atoms as an edge.

Objective: Owing to this theory, it is possible to avoid the difficulties of chemical analysis because many of the chemical properties of molecules can be determined and analyzed via topological indices. Due to these parameters, it is possible to determine the physicochemical properties, biological activities, environmental behaviours and spectral properties of molecules. Nowadays, studies on the zero divisor graph of Z_n via topological indices is a trending field in spectral graph theory.

Methods: For a commutative ring R with identity, the prime ideal sum graph of R is a graph whose vertices are nonzero proper ideals of R and two distinctvertices I and J are adjacent if and only if I+J is a prime ideal of R.

Results: In this study the forgotten topological index and Wiener index of the prime ideal sum graph of Z_n are calculated for n=p^α,pq,p^2 q,p^2 q^2,pqr,p^3 q,p^2 qr,pqrs where p,q,r and s are distinct primes and a Sage math code is developed for designing graph and computing the indices.

Conclusion: In the light of this study, it is possible to handle the other topological descriptors for computing and developing new algorithms for next studies and to study some spectrum and graph energies of certain finite rings with respect to PIS-graph easily.

Introduction: In this work, we studied the problem of determining the values of the Zagreb indices of all the realizations of a given degree sequence.

Method: We first obtained some new relations between the first and second Zagreb indices and the forgotten index sometimes called the third Zagreb index. These relations also include the triangular numbers, order, size, and the biggest vertex degree of a given graph. As the first Zagreb index and the forgotten index of all the realizations of a given degree sequence are fixed, we concentrated on the values of the second Zagreb index and studied several properties including the effect of vertex addition.

Result: In our calculations, we make use of a new graph invariant, called omega invariant, to reach numerical and topological values claimed in the theorems. This invariant is closely related to Euler characteristic and the cyclomatic number of graphs.

Conclusion: Therefore this invariant is used in the calculation of some parameters of the molecular structure under review in terms of vertex degrees, eccentricity, and distance.