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Catalytic synthesis of renewable phenol derivatives from biobased furanic derivatives.

Adrien RatierRichail D Moulandou-KoumbaMélanie AnizanSarah BehloulFréderic GueganGilles FrapperQuentin Blancart RemauryKarine De Oliveira VigieraJianxia ZhengFrançois Jérôme
Published in: RSC advances (2023)
Here, we study a sequence Diels-Alder/aromatization reaction between biobased furanic derivatives and alkynes, paving the way to renewable phenols. Guided by DFT calculations, we revealed that, in the case of dimethylfuran, the methyl group can migrate during the aromatization step, making this substrate also eligible to access renewable phenols. This reaction has been then successfully transposed to furfural and furfuryl alcohol, allowing molecular diversity and complexity to be created on phenol ring starting from two cheap biobased furanic derivatives available on large scale.
Keyphrases
  • structure activity relationship
  • molecular dynamics
  • single cell
  • molecular dynamics simulations
  • monte carlo