A Study of BF3‐Promoted ortho Lithiation of Anilines and DFT Calculations on the Role of Fluorine–Lithium Interactions
Identifieur interne : 001055 ( Main/Exploration ); précédent : 001054; suivant : 001056A Study of BF3‐Promoted ortho Lithiation of Anilines and DFT Calculations on the Role of Fluorine–Lithium Interactions
Auteurs : Satinder Kessar [Inde] ; Paramjit Singh ; Kamal Singh ; Prasad Bharatam ; Arvind Sharma ; Sneh Lata ; Amarjit KaurSource :
- Angewandte Chemie [ 0044-8249 ] ; 2008-06-09.
English descriptors
- KwdEn :
- Acidic centers, Amino group, Angew, Aniline, Atom ortho, Bond length, Boron atom, Chem, Greater extent, Hydrogen atoms, Inductive effect, Lewis acid, Lithiated, Lithiation, Lithium, Nitrogen atom, Nitrogen center, Ortho, Ortho lithiation, Ortho metalation, Ortho position, Ph2co, Position ortho, Product formation, Singh, Verlag gmbh, Weinheim angew.
- Teeft :
- Acidic centers, Amino group, Angew, Aniline, Atom ortho, Bond length, Boron atom, Chem, Greater extent, Hydrogen atoms, Inductive effect, Lewis acid, Lithiated, Lithiation, Lithium, Nitrogen atom, Nitrogen center, Ortho, Ortho lithiation, Ortho metalation, Ortho position, Ph2co, Position ortho, Product formation, Singh, Verlag gmbh, Weinheim angew.
Abstract
Überraschende Hilfe: Aus der bei der ortho‐Metallierung kaum steuernd wirkenden Dimethylaminogruppe wird durch die Komplexierung mit BF3 eine stärker als Methoxy‐ und Chlorgruppen aktivierende Gruppe. Nach DFT‐Rechnungen an vereinfachten lithiierten Intermediaten spielt der induktive Effekt kaum eine Rolle, während eine deutliche F⋅⋅⋅Li‐Wechselwirkung zu einem F‐Li‐Abstand führt, der dem C‐Li‐Abstand erstaunlich nahekommt.
Url:
DOI: 10.1002/ange.200705967
Affiliations:
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Le document en format XML
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<front><div type="abstract">Überraschende Hilfe: Aus der bei der ortho‐Metallierung kaum steuernd wirkenden Dimethylaminogruppe wird durch die Komplexierung mit BF3 eine stärker als Methoxy‐ und Chlorgruppen aktivierende Gruppe. Nach DFT‐Rechnungen an vereinfachten lithiierten Intermediaten spielt der induktive Effekt kaum eine Rolle, während eine deutliche F⋅⋅⋅Li‐Wechselwirkung zu einem F‐Li‐Abstand führt, der dem C‐Li‐Abstand erstaunlich nahekommt.</div>
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