Formation of sodium 6-hydroxy-2-naphthoate in the <Emphasis Type="Italic">Kolbe-Schmitt</Emphasis> reaction |
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Authors: | Svetlana Marković Igor Đurović Zoran Marković |
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Institution: | (1) Faculty of Science, University of Kragujevac, Kragujevac, Serbia;(2) Faculty of Agronomy, University of Kragujevac, Čačak, Serbia |
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Abstract: | This work is an extension of our investigation of the mechanism of the Kolbe-Schmitt reaction of sodium 2-naphthoxide. The carboxylation reaction of sodium 2-naphthoxide in the position 6 is examined by means
of the B3LYP/LANL2DZ method. After the initial formation of sodium 2-naphthoxide-CO2 complex, the carbon of the CO2 moiety performs an electrophilic attack on the naphthalene ring in position 8. Further transformations lead to the formation
of sodium 6-hydroxy-2-naphthoate. Our findings are in good agreement with the experimental results on the carboxylation reaction
of sodium 2-naphthoxide.
Correspondence: Svetlana Marković, Faculty of Science, University of Kragujevac, 34000 Kragujevac, Serbia. |
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Keywords: | Kolbe-Schmitt reaction Sodium 2-naphthoxide Sodium 6-hydroxy-2-naphthoate Reaction mechanism B3LYP/LANL2DZ |
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