Base-Promoted One-Pot Strategy for Expeditious Assembly of Highly Functionalized Benzocoumarin Derivatives.

A versatile and atom-economic three-component reaction between 3-cyano-4-styrylcoumarins, 1,3-indandione, and aliphatic alcohols is described for synthesizing diversely multifunctionalized benzocoumarins. This strategy allows facile access to various benzocoumarins bearing an amine and a substituted benzoyl scaffold under simple heating conditions. Readily available precursors, operational simplicity, acceptable functional group tolerance, and excellent yields are some highlighted advantages of this transformation.

Sulfur- and DABCO-Promoted Reaction between Alkylidene Rhodanines and Isothiocyanates: Access to Aminoalkylidene Rhodanines.

In this work, an efficient sulfur- and DABCO-promoted reaction for the synthesis of aminoalkylidene rhodanines from available alkylidene rhodanines and isothiocyanates is reported. A tandem process including sulfurative annulation/ring-opening by liberation of a CS molecule/olefination allows the synthesis of aminoalkylidene rhodanines with acceptable functional group tolerance. Chemo- and stereoselectivity, operational simplicity, and synthetically useful yields are some highlighted advantages of these transformations.

Cavity-trapped electrons: lithium doped tetracyano-2,6-naphthoquinodimethane (TNAP) systems.

The interesting features in the lithium based electride motived us to explore new species with electride properties. To achieve this goal, the tetracyano-2,6-naphthoquinodimethane (TNAP) species has been used as backbone to investigate systematic addition of lithium atoms to the TNAP backbone (Li@TNAP (n = 1-4) species) through density functional theory (DFT) simulation. After finding the most stable geometries for each Li@TNAP (n = 1-4) species by full optimization process, we show their electronic-structural features in this work.