TiO-Catalyzed Direct Diazenylation of Active Methylene Compounds with Diazonium Salts.

Herein, we report a direct diazenylation of active methylene compounds that is environmentally friendly, cost-effective, and scalable, utilizing a heterogeneous TiO catalyst that is both accessible and recyclable. The scope of this transformation shows excellent compatibility with both electron-rich and electron-poor diazonium salts, yielding the desired products in very good yields at room temperature.

Chalcogen Bond-Driven Alkylations: Selenoxide-Pillar[5]arene as a Recyclable Catalyst for Displacement Reactions in Water.

A novel strategy to catalyze alkylation reactions through chalcogen bond interaction using a supramolecular structure is presented herein. Utilizing just 1.0 mol % of selenoxide-pillar[5]arene (P[5]SeO) as the catalyst we achieved efficient catalysis in the cyanation of benzyl bromide in water.

Sequential nucleophilic aromatic substitutions on cyanuric chloride: synthesis of BODIPY derivatives and mechanistic insights.

Herein we report a study on the sequential substitution of different nucleophiles on cyanuric chloride to obtain potential candidates for metal sensors (5a-c). The set of nucleophiles on the 1,3,5-triazine ring includes a phenolic BODIPY, an aminoalkyl pyridine and aminoalkyl phosphoramidates, each one designed to play a specific role in the final fluoroionophore. Three new triazine triads were synthesized in similar yields: 5a (45%), 5b (43%) and 5c (52%) after a methodical sequential combination of the nucleophiles thermodependent nucleophilic aromatic substitution of the three chlorine atoms of cyanuric chloride.

Exploring borderline S1-S2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride.

Nucleophilic substitution at saturated carbon is a crucial class of organic reactions, playing a pivotal role in various chemical transformations that yield valuable compounds for society. Despite the well-established S1 and S2 mechanisms, secondary substrates, particularly in solvolysis reactions, often exhibit a borderline pathway. A molecular-level understanding of these processes is fundamental for developing more efficient chemical transformations.

Green Approach for the Synthesis of Chalcogenyl- 2,3-dihydrobenzofuran Derivatives Through Allyl-phenols/ Naphthols and Their Potential as MAO-B Inhibitors.

This work presents the design, synthesis, and MAO-B inhibitor activity of a series of chalcogenyl-2,3-dihydrobenzofurans derivatives. Using solvent- and metal-free methodology, a series of chalcogen-containing dihydrobenzofurans 7-9 was obtained with yields ranging from 40% to 99%, using an I /DMSO catalytic system. All compounds were fully structurally characterized using H and C NMR analysis, and the unprecedented compounds were additionally analyzed using high-resolution mass spectrometry (HRMS).

Formation of Dimethyl Carbonate from CO and Methanol Catalyzed by MeSnO: A Density Functional Theory Approach.

The conversion of CO into dimethyl carbonate (DMC) is an environmental and industrial appealing topic because it contributes to reduce the emissions of CO and to increase its use as raw material. In the present study we employed the CAM-B3LYP/def2-SVP DFT approach to evaluate the thermodynamic and kinetic parameters for the catalytic conversion of CO and methanol into DMC. Starting with the activation of four methanol molecules by the [MeSnO] dimer, we computed all the stationary points along the pathway to convert CO and methanol into the DMC.