Kolbe-Schmitt reaction of sodium 2-naphthoxide |
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Authors: | Zoran Markovi? Svetlana Markovi? Igor ?urovi? |
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Institution: | (1) Faculty of Agronomy, University of Kragujevac, Čačak, Serbia;(2) Faculty of Science, University of Kragujevac, Kragujevac, Serbia |
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Abstract: | The mechanism of the Kolbe-Schmitt reaction of sodium 2-naphthoxide 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. Further transformations lead to the formation of sodium
2-hydroxy-1-naphthoate. Sodium 3-hydroxy-2-naphthoate is formed by a 1,3-rearrangement of the CO2Na group. 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 Reaction mechanism Ab initio calculations B3LYP/LANL2DZ |
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