Singlet fission is a highly desired process in photovoltaic devices as it can significantly enhance photoelectric conversion efficiency. Exploitation of this photovoltaics hindered by the lack appropriate chromophores. We used mixed-reference spin-flip time-dependent density functional theory (TDDFT) to investigate five dicarbonyl anthracenes and phenanthrenes, with purpose design singlet Two m...

A simple, green synthesis of N-alkyl-3-acetyl-2-methylpyrrole derivatives using ZnO nanoparticles from the three component reaction of aliphatic amines, acetylacetone (as a 1,3-dicarbonyl compound) and α-haloketones under solvent-free condition is described.

alkali and alkaline earth metals hydrogen sulfate catalyzed the one-pot three component condensation reactions of aldehydes, 1,3-dicarbonyl compounds and urea or thiourea under solvent-free conditions leading to 3,4-dihydropyrimidin-2(1h)-ones in high yields at 80 °c. our results showed that biginelli reaction not only is ph dependent, but the cation of catalyst plays an important role.

1,3-dibromo-5,5-dimethylhydantoin (dbh) and benzyltriphenylphosphoniumtribromide (btptb) were used as efficient catalysts for the promotion of the synthesis of 1,8-dioxo-octahydroxanthene derivatives (doxos) via a one-pot three component condensation of aldehydes and cyclic 1,3-dicarbonyl compounds in the absence of solvent.

The generation of a small and representative library of 3,5,8-trisubstituted coumarins (21 compounds, 7 families, 3 groups) is described. The library was built from the corresponding propargyl vinyl ethers and three different 1,3-dicarbonyl derivatives using a one-pot coupled domino strategy. These coumarins constitute a novel chemotype defined by the presence of a chemical handle in the pyrano...

A new disconnection toward tri- and tetrasubstituted furans has been conceptualized and demonstrated. A mild, base-mediated reaction of an allenoate pronucleophile with α-halo ketones/dicarbonyl compounds results in a Csp2-alkylation/enolization/O-vinylation sequence to ultimately afford substituted furan derivatives. The reaction offers a broad scope, provides a facile access to alkyl and aryl...

Reaction of tris(5-amino-2-ethoxy-3-isopropylphenyl)methane and pyridine-2,6-dicarbonyl-dichloride affords a multi-dentate cryptand in 48% yield. Metallation with iron(III) chloride results in a substantial conformational change of this ligand to give a trianionic triiron(III) complex. Ferric cations line the periphery of the internal cavity with each adopting a square pyramidal N(3)Cl(2) coord...

An unprecedented stereoselective organocatalytic one-pot 1,4-/1,6-/1,2-addition sequence between β-dicarbonyl compounds, β-nitroalkenes and 4-nitro-5-styrylisoxazoles sequentially catalyzed by low loading of a squaramide catalyst and an achiral base has been developed. The protocol opens an efficient entry to isoxazole bearing cyclohexanes with six consecutive stereogenic centers including one ...