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Substituted Benzothietes: Synthesis and a Quantum Chemical Investigation of Their Cycloreversion Properties.

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A flexible synthesis for highly substituted benzothietes that does not require flash-vacuum pyrolysis was developed. This allows for the use of a number of functional groups and nonvaporizable molecules. Highly… Click to show full abstract

A flexible synthesis for highly substituted benzothietes that does not require flash-vacuum pyrolysis was developed. This allows for the use of a number of functional groups and nonvaporizable molecules. Highly stabilized derivatives were isolated. The molecular orbital properties of various benzothietes were evaluated by density functional methods. The mechanism of the cycloreversion of the four-membered ring was compared to that of the oxygen-containing analogues.

Keywords: synthesis quantum; chemical investigation; quantum chemical; benzothietes synthesis; substituted benzothietes; cycloreversion

Journal Title: Organic letters
Year Published: 2020

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