杯[4]芳烃衍生物的合成及其晶体结构  

Syntheses and Crystal Structures of Calix[4]Arenas Derivatives

作　　者：胡晓钧[1] 彭永标[1] 吴昊[1] 

机构地区：[1]沈阳大学 区域污染环境生态修复教育部重点实验室,辽宁沈阳110044

出　　处：《沈阳大学学报（自然科学版）》2012年第2期35-39,共5页Journal of Shenyang University：Natural Science

基　　金：国家科技支撑计划课题(2011BAJ06B02)

摘　　要：通过向杯[4]芳烃下沿引入不同基团,合成得到四种杯[4]芳烃衍生物(2,3,4和5),并采用NMR、ESI-MS和EA对所合成的化合物进行结构表征.同时培养得到化合物2,3和4的单晶,解析出晶体结构,发现在化合物3和4的晶体中同时存在杯[4]芳烃的两种主要构象:锥型和部分锥型.通过分析研究,把产生这种现象的原因归结为:当下沿的保护基团具有适度大的尺寸时,就能够阻止苯环的翻转,并且提供足够的空间.当杯芳烃从溶液中析出时,第四个苯环随机地定位,从而使得两种构象并存于同一晶体中.A novel phenomenon about calix[4]arenes was observed that there were two discrete conformational isomers observed in single crystals of tetra-O-alkylated calix[4]arenes. Four calix[4] arene derivatives （2, 3, 4 and 5 ） were synthesized with 1 as the precursor, and their single crystals were prepared to disclose reasons for this novel phenomenon. It was found that the introduced alkyl groups inhibited the oxygen-through-the-annulus rotation of phenyl rings, and there was enough space for the forth phenyl ring to randomly position in cone conformation or upside down in partial-cone conformation, leading to the coexistence of two discrete conformational isomers in single crystals of calix[4]arenes.

关 键 词：杯[4]芳烃 构象 晶体结构 构象异构体 

分 类 号：O62[理学—有机化学]