3-乙酰基取代吡咯衍生物的合成及其晶体结构

本文通过Knorr合成法制备了四个3-位乙酰基取代的吡咯衍生物:1, 2-二甲基-4-异丙基-5-苯基-3-乙酰基-吡咯(5a); 1, 2, 4-三甲基-5-对甲氧苯基-3-乙酰基-吡咯(5b); 1, 2, 5-三甲基-4-苯基-3-乙酰基-吡咯(5c); 1, 2, 5-三甲基-4-对甲氧苯基-3-乙酰基-吡咯(5d)。通过红外, 质谱, 核磁等方法对其结构进行了表征。测定了其中三个化合物的晶体结构。对这类吡咯环上4或5-位有芳环取代基时化合物的晶体结构特征进行了扼要讨论, 晶体衍射实验结果表明,4, 5-位上的芳环与吡咯环本身处于非共平面结构。

Synthesis and crystal structures of 3-acetyl-substituted pyrroles

Four new 3 - acetyl substituted pyrrole derivatives were prepared by Knorr - pyrrole synthetic method- 5a, 1,2- dimethyl - 4 - isopropyl - 5 - phenyl - 3 - acetyl pyrrole; 5b, 1, 2, 4 -trimethyl - 5 - p - methoxyphenyl - 3 - acetyl pyrrole; 5c, 1,2,5 - tirmethyl - 4 - phenyl - 3 - acetyl pyrrole', 5d, 1,2,5- trimethyl - 4 - p - methoxyphenyl - 3 - acetyl pyrrole. Their structures were identified by IR , 1H NMR and MS Spectroscopy . Crystal structures of cmpound 5 a , 5 b and 5 c were obtained by X - ray analysis. The structure characters of this kind of molecules were discussed. The results show that the phenyl group located in the 4 - or 5 - position of pynyl ring are not coplanar with the pyrryl ring.