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Metal-Free Selective Synthesis of α,β-Unsaturated Aldehydes from Alkenes and Formaldehyde Catalyzed by Dimethylamine.

Gongming PengNaseeb UllahStéphane StreiffKarine De Oliveira VigierMarc Pera-TitusRaphael WischertFrançois Jérôme
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
α,β-Unsaturated aldehydes are important building blocks for the synthesis of a wide range of chemicals, including polymers. The synthesis of these molecules from cheap feedstocks such as alkenes remains a scientific challenge, mainly due to the low reactivity of alkenes. Here we report a selective and metal-free access to α,β-unsaturated aldehydes from alkenes with formaldehyde. This reaction is catalyzed by dimethylamine and affords α,β-unsaturated aldehydes in yields of up to 80 %. By combining Density Functional Theory (DFT) calculations and experiments, we elucidate the reaction mechanism which is based on a cascade of hydride transfer, hydrolysis and aldolization reactions. The reaction can be performed under very mild conditions (30-50 °C), in a theoretically 100 % carbon-economical fashion, with water as the only by-product. The reaction was successfully applied to non-activated linear 1-alkenes, thus opening an access to industrially relevant α,β-unsaturated aldehydes from cheap and widely abundant chemicals at large scale.
Keyphrases
  • density functional theory
  • room temperature
  • molecular dynamics
  • electron transfer
  • ionic liquid
  • molecular dynamics simulations
  • anaerobic digestion
  • transition metal