期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1202, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2019.127283
关键词
Tyramine; Mannich reaction; Intermolecular interactions; Hydrogen bond; Macrocyclization
资金
- Universidad Nacional de Colombia [37398]
Tyramines (beta-(4-hydroxyphenyl)ethylamines) present intermolecular associations via O-H center dot center dot center dot N hydrogen bonds, leading to the formation of macrocyclization templates in solution, which account for the obtained macrocyclic products in the aromatic Mannich reaction of these compounds with formaldehyde. However, the intermolecular association of tyramine is strongly affected by the presence of 2-naphthol, and its reaction with formaldehyde produces Mannich bases with linear tricomponents instead of macrocyclic products. The preference of tyramines to associate with 2-naphthol rather than with themselves is explained with the aid of semi-empirical and ab initio chemical calculations for the proposed hydrogen-bond based complexes, from energetic and molecular orbitals approaches. (C) 2019 Elsevier B.V. All rights reserved.
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