1. Synthesis of a new quinine dimer biocatalysed by the coconut water
- Author
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Fonseca, Aluísio M., da Silva, Leonardo Paes, de Queiroz Almeida-Neto, Francisco Wagner, Colares, Regilany Paulo, de Oliveira, Mauro Macedo, Cavalcante, Antônio Luthierre Gama, Lemos, Telma L. G., Braz-Filho, Raimundo, de Lima-Neto, Pedro, and Marinho, Emmanuel Silva
- Abstract
The obtaining of bis-quinine, a novel alkaloid dimer, has been successfully achieved starting from quinine and the raw coconut juice (Cocos nucifera) as biocatalyst dimerization-like reaction, in mild conditions, with a mass yield of 64.7% in 72 h. The structural elucidation was made based on the spectral data, mainly by a high-field NMR and a mass spectrometry. In a second step, theoretical calculations were performed, an optimised energy structure of the new compound was obtained, the energy gap of the boundary orbitals (HOMO and LUMO) as well as the chemical reactivity descriptors were estimated.
- Published
- 2021
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