RSC Advances  

Phenoxathiin-based macrocycles react with RLi reagents to form a number of different products resulting from cleavage of the calixarene backbone or heterocyclic group.

Keto–enol tautomerism of hydroquinones was studied for fused aromatic compounds. For larger fused aromatic compounds the dione tautomer was the stable form. These experimental results were corroborated by calculations.

The hybrid H-bond donor cyclopropenium was vital in activating the epoxide and stabilizing the anion intermediate.

Secondary orbital interaction in action: DFT calculations in combination with the distortion–interaction model help to uncover underlying factors responsible for the increased reactivity of sulfone- and sulfoxide-substituted tetrazines in iEDDA.

Using a Phe-incorporated cyclic peptide as a scaffold, we discussed the local control of CH⋯π interactions and the associated flexibility of the Phe side chain by the 4-position substituents and their effects on global conformational equilibrium.

A-values of 20 substituents were estimated by quantum chemistry calculations of different theoretical levels.

The structure–activity relationship of the synthesized tirbanibulin derivatives was explored; para fluorination on the benzylamine part yielded promising outcomes in potency and pharmacokinetics.

This paper evaluates the electronic effects of molecular substituents on the stereoselectivity of the umpolung Staudinger catalytic reaction.

A catalytic and highly regioselective method for the rearrangement of aryl-pentadienyl ethers into the corresponding ortho- or para-alkylated products.