Yu. A. Sayapin, A. Kolodina, D. N. Bang
Jun 17, 2018
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Arkivoc
Abstract
Acid-catalyzed rearrangement of 5,7-di-tert-butyl-2-(4-chloro-6,8-dimethylquinolin-2-yl)-1,3-tropolone leads to (R,S)-5-tert-butyl-2-(4-chloro-6,8-dimethyl-1H-quinolin-2-ylidene)-3,3,3a-trimethyl-3,3a-dihydropentalene1,6(2H,6aH)-dione. The structure of the rearrangement product is established by 2D-correlation NMR and X-ray diffraction. The relative thermodynamic stability and tautomeric isomers of the new compound were evaluated by means of quantum chemical methods. A reaction mechanism is suggested.