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.

中文翻译：

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椰子水生物催化合成新型奎宁二聚体

摘要

以奎宁和生椰子汁（Cocos nucifera）为生物催化类二聚反应，在温和条件下成功获得了新型生物碱二聚体双奎宁，72 h质量收率达64.7%。基于光谱数据进行结构解析，主要通过高场核磁共振和质谱分析。第二步，进行理论计算，获得新化合物的优化能量结构，估计边界轨道（HOMO和LUMO）的能隙以及化学反应性描述符。