Hydrazinosulfonylation of aryl electrophiles: a straightforward approach for the synthesis of aryl N-aminosulfonamides

Jun 20, 2023

Journal Royal Society of Chemistry

publisher Royal Society of Chemistry

DOI https://doi.org/10.1039/D3RA03123C

Issue 27

Volume 13

In recent years, the direct hydrazinosulfonylation of aryl electrophiles with SO2 and hydrazines has emerged as an efficient and versatile method for the synthesis of aryl N-aminosulfonamides. This method has the advantages of being operationally simple and requiring only readily available starting materials. This review article is an attempt to survey literature describing the preparation of aryl N-aminosulfonamides through the direct hydrazinosulfonylation of aryl electrophiles with SO2 and hydrazines, with special attention paid to the mechanistic features of the reactions. It can be used as a guide for chemists to apply the best hydrazinosulfonylation conditions in their work or serve as inspiration for future research related to the topic.

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Prediction of hydration enthalpy of low molecular weight organic molecules with machine learning regression based on COSMO-SAC

Jun 25, 2023

Journal Chemical Review and Letters

publisher Eurasian Science Society

DOI https://doi.org/10.22034/crl.2023.399189.1225

Issue 1

Volume 6

COSMO-SAC modeling is a reliable method to determine the activity coefficient of the mixtures and is used to predict low molecular weight organic materials hydration enthalpy. A dataset of 96 organic molecules’ activity coefficients in the different solvents (water, ethanol, methanol, toluene, and benzene) mixtures have been obtained in full range composition with COSMO-SAC. The created database has been merged with the FreeSolv dataset to include the hydration enthalpy of these materials as input of machine learning training besides the Van der Waals diameter, other important molecular descriptive. The support vector regressor, random forest regressor, and gradient boosting decision tree regressor have been used for data training and prediction of hydration enthalpy of the organic and pharmaceutical materials. Variation of training and testing rates is most effective parameter in the prediction of enthalpy of hydration. The random forest regression is the most accurate method in the prediction of the enthalpy of hydration with 1.5 % RMSD with a train: test ratio of 0.25:0.75 between the studied methods.

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Oxidative Decarboxylation of Arylacetic Acids: Novel Approach to the Synthesis of Aryl Aldehydes and Ketones

Aug 10, 2023

Journal Chemical Review and Letters

publisher Eurasian Science Society

DOI https://doi.org/10.22034/crl.2023.390701.1214

Issue 2

Volume 6

Oxidation and decarboxylation are among the most important processes in organic synthesis. The combination of these two fundamental processes provides a novel synthetic strategy, that is, oxidative decarboxylation. Over the past few years, considerable attention has been focused on such an attractive research arena. This review offers an overview of the utility of oxidative decarboxylation in the synthesis of various aryl aldehydes and ketones from the corresponding arylacetic acids. The review is divided into three major sections. The first section focuses exclusively on metal-catalyzed reactions. The second section will discuss metal-free approaches. The third will cover photoredox-catalyzed decarboxylative oxidations. Literature has been surveyed from the year 1980 to 2022.

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Identification CH3F and CH3Cl molecules by the beryllium oxide nanocluster in presence of environmental gases: Electronic study via DFT

Aug 21, 2023

Journal Inorganic Chemistry Communications

publisher Elsevier

DOI https://doi.org/10.1016/j.inoche.2023.111264

Issue 2023

Volume 156

This paper implemented density functional theory (DFT) analysis to examine the adsorption of CH3Cl (chloromethane) CH3F (fluoromethane), O2, and N2 onto BeO nanocluster (BeONCs). The interactions of CH3F, O2, and N2 with BeONC were found to be poor. Hence, BeONCs could not be used for the detection of CH3F, O2, and N2. However, CH3Cl significantly raised the reactivity and sensitivity of sheets. The adsorption of CH3Cl diminished the HOMO-LUMO gap of the nanotube by nearly 38.6% (from 7.01 to 4.28 eV). This substantially enhanced electrical conductivity. Thus, a large conductivity variation could be transformed into electronic signals. This implies that BeONC can be a promising detector of CH3Cl. Furthermore, the BeONC work function underwent a large decrease during the adsorption. Hence, it can be said that BeONC may serve as an Φ-type detector of CH3Cl in the mixture of the aforementioned gases. The BeONC desorption recovery time was obtained to be short (16.1 s).

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Hybridization and Characterization of a Deep Eutectic Solvent Molecularly Imprinted Polymer Membrane for the Removal of Bisphenol A

Sep 24, 2023

Journal Malaysian Journal of Chemistry

publisher Malaysian Institute of Chemistry

DOI https://doi.org/10.55373/mjchem.v25i4.232

Issue 4

Volume 25

A deep eutectic solvent molecularly imprinted polymer (DES-MIP) was synthesized via bulk polymerization using bisphenol A (BPA) as the template, DES as the monomer, ethylene glycol dimethyl acrylate (EGDMA) as the cross-linker, and benzoyl peroxide (BPO) as the initiator. A hybridized deep eutectic solvent molecular-imprinted polymer membrane (HDES-MIP) was produced by hybridizing cellulose acetate (CA) with a previously prepared DES-MIP. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were used to analyze the fundamental functional groups and morphology of the synthesized membrane. Kinetic and isotherm analyses of the HDES-MIP membrane revealed that the data corresponded well with pseudo-second-order kinetic (R2 = 0.9986) and Langmuir isotherm models (R2 = 0.9983). The maximum adsorption capacity was observed at pH 8. A thermodynamic study of the HDES-MIP membrane showed that the adsorption of BPA was exothermic and spontaneous. The development of a hybridized deep eutectic solvent molecular-imprinted polymer membrane (HDES-MIP) offers significant potential for the effective and environment-friendly removal of bisphenol A (BPA), emphasizing the importance of this research in addressing pollution concerns and advancing sustainable materials.

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The effect of Cl encapsulation and hydrogenation process on the performance of ZnO nanocluster as an anode in Na-ion batteries

Oct 5, 2023

Journal Journal of Physics and Chemistry of Solids

publisher Elsevier

DOI https://doi.org/10.1016/j.jpcs.2023.111481

Issue 2024 january

Volume 184

Density functional theory (DFT) computations are performed for probing the application of a Zn12O12 nanocage as well as its geometrically engineered forms as an anode material in Na-ion batteries (NIBs). The performance of the pure Zn12O12 nanocage was low and its cell voltage (Vcell) was approximately 1.06 V. Therefore, in order to enhance the performance, two methods were projected, namely encapsulation of an anion inside the nanocage and hydrogenation of Zn atoms of the cage. The second method was unsuccessful since it demonstrated a negative Vcell, which was due to the fact that interaction between the atomic Na and the hydrogenated nanocage was stronger than the cationic Na. However, the encapsulation of a chloride inside the Zn12O12 nanocage led to a dramatic increase in the Vcell from 1.06 to 2.96 V, which was greater than the Vcell anticipated for carbon nano-tubes and C24 fullerene.

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Methods for hydrosulfonylation of alkenes

Nov 8, 2023

Journal Journal of Sulfur Chemistry

publisher Taylor & Francis

DOI https://doi.org/10.1080/17415993.2023.2278602

Issue 3

Volume 45

Hydrofunctionalization is one of the most important transformation reactions of alkenes which allows for rapid increase in molecular complexity by installing functional groups across the carbon–carbon double bonds. In this context, over the past few years, the experimental synthesis of biologically important aliphatic sulfones through the hydrosulfonylation of olefinic double bonds has attracted tremendous attention due to its straightforward manner with high atom- and step-economy, and also easily accessible starting materials. The aim of the present paper is to perform a review of recent advances made on this research topic, with special emphasis on the mechanistic aspect of the reactions.

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Reductive coupling of nitro compounds with boronic acid derivatives: an overview

Nov 13, 2023

Journal Royal Society of Chemistry

publisher Royal Society of Chemistry

DOI https://doi.org/10.1039/D3RA05100E

Issue 47

Volume 13

The purpose of this review is to summarize the current literature on reductive C–N coupling of nitro compounds and boronic acids, with special emphasis on the mechanistic features of the reactions. The metal-catalyzed reactions are discussed first. This is followed by electro-synthesis and organophosphorus-catalyzed reactions. Finally, the available examples of catalyst-free reactions will be covered at the end of this review.

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A comprehensive review on biogenic synthesis of bimetallic nanoparticles and their application as catalytic reduction of 4-nitrophenol

Feb 9, 2024

Journal Chemical Papers

publisher Springer

DOI https://doi.org/10.1007/s11696-024-03323-7

Issue 14

Volume 78

The synthesis of a number of bimetallic nanoparticles has been carried out in the past few years for commercial scale applications to promote environmental sustainability. This has been possible as the bimetallic nanoparticles possess harmonized physical and chemical properties. As compared to monometallic catalysts, these bimetallic nanoparticles displayed improved catalytic activity which may be due to the synergistic bonding among constituents and additional degrees of freedom. Furthermore, the manifestation of two different metals in bimetallic catalysts acts as a dynamic center and provides a favorable environment for the reactants to accelerate the reaction. The present review outlines a variety of procedures for the synthesis of bimetallic nanoparticles. A comparison has also been made between biosynthesis and other conventional methods of preparation. In addition, application of these bimetallic nanoparticles for removal of hazardous organic pollutant, viz. 4-nitrophenol, has also been explored. This review aims at providing the researchers, a comprehensive outline of recent developments in this discipline.

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Isotherms, kinetics and thermodynamic mechanism of methylene blue dye adsorption on synthesized activated carbon

Feb 27, 2024

DOI 10.1038/s41598-024-55385-

Issue 1

Volume 14