An interesting molecular architecture, butterflyene, resembling the shape of a butterfly has been synthesized a sequence of cyclocondensation, benzylic oxidation, McMurry coupling and Diels-Alder reaction (DAR), successively. The DAR of the tetrasubstituted double bond of a bicyclopentylidene moiety with various dienes has been performed to prepare the analogues of butterflyene. DFT calculations have also been used to analyze the structural optimization and reaction energies.
View Article and Find Full Text PDFPesticide deposits post-treatment and before diffusing inside the plants are exposed to sunlight. Many of them degrade into a variety of photoproducts that may be harmful to living beings through accidental ingestion. The addition of ultraviolet light absorbers to the pesticide formulations is an attractive strategy to prevent photodegradation of the pesticides.
View Article and Find Full Text PDFDodecahydrotriphenylene, a higher homologue of trindane chemoselectively undergoes unidirectional benzylic sp C-H oxidation and the central benzene ring remains intact unlike that in trindane under similar reaction conditions. RuO which generally attacks sp C-H to form oxidative products is found to give benzylic ketones sp C-H oxidation. Density functional theory (DFT) calculations have also been performed to analyse the potential energy, energy barrier and HOMO-LUMO energy gap of the products.
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