Solving the puzzling competition of the thermal C2–C6 vs Myers–Saito cyclization of enyne-carbodiimides

Solving the puzzling competition of the thermal C2–C6 vs Myers–Saito cyclization of enyne-carbodiimides

The mechanism of the thermal cyclization of enyne-carbodiimides 7a–c has been studied computationally by applying the DFT method. The results indicate that enyne-carbodiimides preferentially follow the C2–C6 (Schmittel) cyclization pathway in a concerted fashion although the Myers–Saito diradical fo...

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Bibliographic Details
Main Authors: Anup Rana, Mehmet Emin Cinar, Debabrata Samanta, Michael Schmittel
Format: Article
Language:English
Published: Beilstein-Institut 2016-01-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
DFT computation
diradical
enyne-carbodiimides
hydrogen transfer
thermal cyclization
Online Access:https://doi.org/10.3762/bjoc.12.6

Internet

https://doi.org/10.3762/bjoc.12.6

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