Repozytorium

Unclicking the click : metal-assisted mechanochemical cycloreversion of triazoles is possible.

Autorzy

Martin Krupička

Przemysław Dopieralski

Dominik Marx

Rok wydania

2017

Czasopismo

Angewandte Chemie - International Edition

Numer woluminu

56

Strony

7745-7749

DOI

10.1002/anie.201612507

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

The mechanochemical cycloreversion of 1,2,3-triazole compounds, which serve as unusually stable building blocks in materials and biomolecular chemistry as a result of mild "click chemistry", remains puzzling. We show that the hitherto discussed straight-forward retro-click mechanism of the 1,4-disubstituted isomer, even if CuI catalyzed, can be ruled out in view of more favorable activation free energies of destructive pathways. In stark contrast, the 1,5-regioiomer can undergo cycloreversion under rather mild mechanochemical conditions owing to its favorable response to the external force in conjunction with standard RuII catalysis.

Słowa kluczowe

click chemistry, computational chemistry, mechanochemistry, reaction mechanisms, triazole

Adres publiczny

http://dx.doi.org/10.1002/anie.201612507

Strona internetowa wydawcy

onlinelibrary.wiley.com

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