Pyridazine derivatives.: Part 27:: A joint theoretical and experimental approach to the synthesis of 6-phenyl-4,5-disubstituted-3(2H)-pyridazinones

被引:14
|
作者
Sotelo, E
Centeno, NB
Rodrigo, J
Raviña, E [1 ]
机构
[1] Univ Santiago de Compostela, Fac Farm, Quim Farmaceut Lab, Dept Quim Organ, Santiago De Compostela 15706, Spain
[2] UPF, IMIM, Res Grp Biomed Informat, E-08003 Barcelona, Spain
关键词
pyridazinones; conformational analysis; ESP charges;
D O I
10.1016/S0040-4020(02)00120-5
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
A theoretical study of the structures of a series of 5-substituted-6-phenyl-3(2H)-pyridazinones has been carried out using quantum-mechanical calculations. This study indicates a significant effect of the nature of the substituent at the 5-position on the reactivity of this system. The results have also been confirmed by means of H-1 NMR measurements. The outcome of this work has guided the development of novel and efficient synthetic pathways to obtain pharmacologically useful 6-phenyl-4,5-substituted-3(2H)-pyridazinones. (C) 2002 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:2389 / 2395
页数:7
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