The Borylamino-diborata-allyl Anion

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Abstract

Reactions of Β-diketiminato alkaline earth alkyldiboranate derivatives [(BDI)Ae{pinBB(R)pin}] (BDI = HC{(Me)CNDipp}2; Dipp = 2,6-i-Pr2C6H3; Ae = Mg, R = n-Bu or Ae = Ca, R = n-hexyl) with t-BuNC provide access to the respective group 2 derivatives of unprecedented diborata-allyl, {(pinB)2CNBpin(t¬-Bu)}, anions. Although the necessary mode of B–C bond cleavage implicated in these transformations could not be elucidated, further studies of the reactivity of magnesium triboranates toward isonitriles delivered a more general and rational synthetic access to analogous anionic moieties. Extending this latter reactivity to a less symmetric triboranate variant also provided an isomeric Mg–C-bonded dibora-alkyl species and sufficient experimental insight to prompt theoretical evaluation of this reactivity. DFT calculations, thus, support a reaction pathway predicated on initial RNC attack at a peripheral boron centre and the intermediacy of such dibora-alkyl intermediates.
Original languageEnglish
JournalChemical Science
Publication statusAcceptance date - 28 Apr 2024

Acknowledgements

This research made use of the Anatra High Throughput Computing (HTC) Cluster at the University of Bath. The authors gratefully acknowledge the University of Bath’s Research Computing Group (doi.org/10.15125/b6cd-s854) for their support in this work.
  • Anatra HTC cluster

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