Demonstrates high yields of isoquinolin-1(2H)-ones from 3-isocyanatoisochroman-1-ones, indicating efficient reaction conditions.
A previously unknown decarboxylative recyclization of 3-isocyanato-isochroman-1-ones occurs at 200-220°C in PhOPh solution to afford a series of pharmacophoric isoquinolin-1(2H)-ones in 89-94% yield on a 4-8 gram scale. DFT-D calculations predict the exothermicity and entropic favorability of the rearrangement and suggest it’s possible mechanism
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Vasylyshyn et al. (2026) studied this question.
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