酯型脱氧胆酸分子钳受体的合成及分子识别研究

SYNTHESIS OF ESTER-TYPE MOLECULAR TWEEZERS FROM DEOXYCHLIC ACID AND THEIR MOLECULAR RECOGNITION

以脱氧胆酸甲酯为spacer,苯衍生物作为arm合成了一系列分子钳受体 .其结构经IR ,1HNMR及元素分析鉴定 ,并且基于计算机分子模拟确认了其构象 .利用分光光谱法考察了其识别性能 ,并对主 客体间的尺寸

Molecular tweezers 1～6 were synthesized by using methyl 3α,12α dihydroxy 7 deoxy 5β cholan 24 oate as spacer and the derivatives of benzene as arm. Their structures were characterized by IR, 1HNMR spectra and elemental analyses. Computer based molecular modeling suggested that the conformation for all these compounds is as illustrated in Figure 2. and molecular recognition properties of these compounds have been investigated by UV visible spectophotometric titration. The results showed that all these molecular tweezers can form 1∶1 supramolecular complexes with phenols. The recognize ability of these molecular tweezers come mainly from hydrogen bonding,π π stacking between aromatic residues and Van der Waals interaction. The size/shape fit and geometrical complementary relationship between receptor and substrate play a crucial role in the inclusion complexation of phenols with receptor 1～6.