Synthesis and Crystal Structure of 5,17-Diformyl-11,23-di(tert-butyl)25,26,27,28-tetrapropoxy-calix[4]arene  

作　　者：李正义 来源 石嵩 韩辰 陈亮 孙小强 

机构地区：[1]Key Laboratory of Fine Petrochemical Engineering, Changzhou University

出　　处：《Chinese Journal of Structural Chemistry》2013年第9期1387-1391,共5页结构化学（英文）

基　　金：Supported by the National Natural Science Foundation of China(No.21002009);Major Program for the Natural Science Research of Jiangsu Colleges and Universities(12KJA150002);Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology(BM2012110);the Scientific and Technological Project of Changzhou(CJ20115019);Priority Academic Program Development of Jiangsu Higher Education Institutions;the Qing-Lan Project of Jiangsu Province

摘　　要：The title compound 5,17-diformyl-11,23-di（tert-butyl）-25,26,27,28-tetrapropoxycalix[4]arene has been synthesized by selective formylation of 5,11,17,23-tetra（tert-butyl）25,26,27,28-tetrahydroxycalix[4]arene in three steps and characterized by1H NMR and X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group C2/c with a = 25.760（3）,b = 10.9952（10）,c = 18.630（2）,β = 119.985（4）°,V = 4570.4（9）3,Z = 4,Dc = 1.106 g/cm3,Mr = 761.01,F（000） = 1648,μ = 0.071 mm-1,MoKa radiation（λ = 0.71073）,R = 0.0710 and wR = 0.2411 for 3234 observed reflections with I 2σ（I）.X-ray analysis reveals that the title compound adopts a pinched cone conformation which leads to an open cavity.Intermolecular C–H O weak interactions link the molecules along the bc plane,which are effective in the stabilization of the crystal structure.The title compound 5,17-diformyl-11,23-di（tert-butyl）-25,26,27,28-tetrapropoxycalix[4]arene has been synthesized by selective formylation of 5,11,17,23-tetra（tert-butyl）25,26,27,28-tetrahydroxycalix[4]arene in three steps and characterized by1H NMR and X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group C2/c with a = 25.760（3）,b = 10.9952（10）,c = 18.630（2）,β = 119.985（4）°,V = 4570.4（9）3,Z = 4,Dc = 1.106 g/cm3,Mr = 761.01,F（000） = 1648,μ = 0.071 mm-1,MoKa radiation（λ = 0.71073）,R = 0.0710 and wR = 0.2411 for 3234 observed reflections with I 2σ（I）.X-ray analysis reveals that the title compound adopts a pinched cone conformation which leads to an open cavity.Intermolecular C–H O weak interactions link the molecules along the bc plane,which are effective in the stabilization of the crystal structure.

关 键 词：selective formylation CALIX[4]ARENE synthesis crystal structure 

分 类 号：O625[理学—有机化学]