5,17,29-triformyl-11,23,35-tris(1,1-dimethylethyl)-37,39,41-trimethoxy-38,40,42-tri-n-octyloxycalix[6]arene | 197294-31-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,17,29-triformyl-11,23,35-tris(1,1-dimethylethyl)-37,39,41-trimethoxy-38,40,42-tri-n-octyloxycalix[6]arene
• 英文别名: 11,23,35-Tritert-butyl-37,39,41-trimethoxy-38,40,42-trioctoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-5,17,29-tricarbaldehyde
• CAS: 197294-31-8
• 化学式: C₈₄H₁₁₄O₉
• 分子量: 1267.82
• InChiKey: WTJKWJYJWTZZLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25
• 重原子数：
  93
• 可旋转键数：
  33
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5,17,29-triformyl-11,23,35-tris(1,1-dimethylethyl)-37,39,41-trimethoxy-38,40,42-tri-n-octyloxycalix[6]arene 在 sodium chlorite 、 氨基磺酸 作用下， 以 氯仿 、 水 、 丙酮 为溶剂， 反应 6.0h， 以90%的产率得到11,23,35-tricarboxy-5,17,29-tris(1,1-dimethylethyl)-37,39,41-trimethoxy-38,40,42-tris-(n-octyloxy)calix[6]carene
  参考文献：
  名称：

  Self-Assembled Hydrogen-Bonded Molecular Cages of Calix[6]arenetricarboxylic Acid Derivatives

  摘要：

  DOI：

  10.1021/jo9704826
• 作为产物：
  描述：

  1,3,5-trimethoxy-p-tert-butylcalix[6]arene 在 三氯化铝 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 三氟乙酸 为溶剂， 反应 20.0h， 生成 5,17,29-triformyl-11,23,35-tris(1,1-dimethylethyl)-37,39,41-trimethoxy-38,40,42-tri-n-octyloxycalix[6]arene
  参考文献：
  名称：

  Self-Assembled Hydrogen-Bonded Molecular Cages of Calix[6]arenetricarboxylic Acid Derivatives

  摘要：

  DOI：

  10.1021/jo9704826

文献信息

• Synthesis of Upper Rim Covalently Linked Double Calix[6]arenes
  作者：Arturo Arduini、Riccardo Ferdani、Andrea Pochini、Andrea Secchi

  DOI：10.1016/s0040-4020(00)00805-x

  日期：2000.10

  A series of new double calix[6]arenes obtained through the 1,3,5-upper rim linkage of two calix[6]arene units with imino or 1,4-phenylendiimino bridges has been synthesised. These compounds were conceived as hosts for selected organic cations but since they are molecular cages with different grades of accessibility of the internal cavity, they gave some insight on the way 1,3,5-trimethoxycalix [6]arenes interact with guests and, in particular on the pathway guests choose to access the cavity. H-1 NMR studies showed that the distance between the two calixarene caps and the dimension of the equatorial portals are the key control elements on the efficiency and selectivity of binding. It was thus hypothesised that the entrance of the guests into the cage takes place exclusively from the equatorial portals and, in general, from the upper rim of the calix[6]arene. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Self-Assembled Hydrogen-Bonded Molecular Cages of Calix[6]arenetricarboxylic Acid Derivatives
  作者：Arturo Arduini、Laura Domiano、Lorenzo Ogliosi、Andrea Pochini、Andrea Secchi、Rocco Ungaro

  DOI：10.1021/jo9704826

  日期：1997.10.1