Anisindione

An intermolecular annulation reaction of 2‐aryl‐1,3‐indandions with alkynes was reported using Pd(OAc)2 to access spirobi[indene]‐1,3‐diones. Under palladium catalysis, the substrates form a homocoupling dimer intermediate through a catalytic dehydrogenative cross‐coupling process. The palladium(II) species could come from dimer or 2‐aryl‐1,3‐indandion. Notably, this pathway is not typically observed in enol‐directed formal sp3 C−H functionalization/oxidative annulation palladium chemistry. This transformation provides a route to access a class of functionalized spiro carbocyclic indenes.

β-diketones are promising scaffolds for drug discovery and drug delivery because of their diketo moiety separated by a -CH2 group that results in facile keto-enol tautomerism.Consequently, the loosely bound proton at the diketo bridge undergoes facile replacement by toxic metal ions, thus making them attractive scavengers of toxic ions and free radicals as well as candidates for transporting drugs.Therefore, it is of paramount importance to gain computational insights into their physicochem. properties and toxicity parameters (LD50).In this paper we compute a number of distance and degree based topol. indexes through M-polynomials and NM-polynomials of 76 β-diketones in order to develop QSAR relations through statistical regressions for several important toxicity and property parameters such as LD50, LogP, and XLogP3.We show several distance based indexes including Szeged like indexes to offer promising avenue in predicting the properties and somewhat less accurate in predicting toxicity parameters of these mols.