Mixed Alkylamido Aluminate as a Kinetically Controlled Base.

The mechanisms by which directed ortho metalation (DoM) and postmetalation processes occur when aromatic compounds are treated with mixed alkylamido aluminate i-BuAI(TMP)Li (TMP-aluminate 1; TMP = 2,2,6,6-tetramethylpiperidide) have been investigated by computation and X-ray diffraction. Sequential...

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Publicado en:Journal of the American Chemical Society Vol. 130; no. 48; pp. 16193 - 16201
Autores principales: Naka, Hiroshi, Morey, James V., Haywood, Joanna, EisIer, Dana J., McPartIin, Mary, García, Felipe, Kudo, Hironaga, Kondo, Yoshinori, Uchiyama, Masanobu, WheatIey, Andrew E. H.
Formato: Artículo
Publicado: American Chemical Society 12/3/2008
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Acceso en línea:Ver este registro en EBSCOhost
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      dt: 12/3/2008
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      pub: American Chemical Society
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        10.1021/ja804749y
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        atl: Mixed Alkylamido Aluminate as a Kinetically Controlled Base.
      aug:
        au:
          Naka, Hiroshi
          Morey, James V.
          Haywood, Joanna
          EisIer, Dana J.
          McPartIin, Mary
          García, Felipe
          Kudo, Hironaga
          Kondo, Yoshinori
          Uchiyama, Masanobu
          WheatIey, Andrew E. H.
        affil:
          Graduate School of Pharmaceutical Sciences, Tohoku University, Aobayama, Aoba-ku, Sendai 980-8578, Japan
          Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
          Advanced Elements Chemistry Laboratory, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198, Japan
      su:
        Aromatic compounds
        Aluminates
        Aluminum compounds
        Chemistry
        Optical diffraction
      sug:
        subj:
          Aromatic compounds
          Aluminates
          Aluminum compounds
          Chemistry
          Optical diffraction
      ab: The mechanisms by which directed ortho metalation (DoM) and postmetalation processes occur when aromatic compounds are treated with mixed alkylamido aluminate i-BuAI(TMP)Li (TMP-aluminate 1; TMP = 2,2,6,6-tetramethylpiperidide) have been investigated by computation and X-ray diffraction. Sequential reaction of ArC(=O)N(i-Pr) (Ar = phenyl, 1 -naphthyl) with t-BuLi and i-BuAI in tetrahydrofuran affords [2-(i-BuAI)CHC(=O)N(i-Pr)]Li+3THF (m = 6, n = 4, 7; m = 10, n = 6, 8). These data advance the structural evidence for ortho-aluminated functionalized aromatics and represent model intermediates in DoM chemistry. Both 7 and 8 are found to resist reaction with HTMP, suggesting that ortho-aluminated aromatics are incapable of exhibiting stepwise deprotonative reactivity of the type recently shown to pertain to the related field of ortho zincation chemistry. Density functional theory calculations corroborate this view and reveal the existence of substantial kinetic barriers both to one-step alkyl exchange and to amido-alkyl exchange after an initial amido deprotonation reaction by aluminate bases. Rationalization of this dichotomy comes from an evaluation of the inherent Lewis acidities of the Al and Zn centers. As a representative synthetic application of this high kinetic reactivity of the TMP-aluminate, the highly regioselective deprotonative functionalization of unsymmetrical ketones both under mild conditions and at elevated temperatures is also presented.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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          year: 2008
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