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Access to α-Cyano Carbonyls Bearing a Quaternary Carbon Center by Reductive Cyanation.

Xinyi RenChaoren ShenGuangzhu WangZhanglin ShiXinxin TianKaiwu Dong
Published in: Organic letters (2021)
Reductive cyanation of tertiary alkyl bromides using electrophilic cyanating reagent and zinc reductant was developed, providing various α-cyano ketones, esters, and carboxamides containing a nitrile-bearing all-carbon quaternary center in good to excellent yields under mild reaction conditions. The corresponding reaction mechanism involving in situ generated organozinc reagent and reactivity distinction was elucidated by density functional theory computation.
Keyphrases
  • density functional theory
  • molecular dynamics
  • electron transfer