(2s,4s,6s,8s)-2,4,6,8-tetraethyl-15,35,55,75-tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol | 802984-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (2s,4s,6s,8s)-2,4,6,8-tetraethyl-15,35,55,75-tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol
• CAS: 802984-96-9
• 化学式: C₄₀H₄₈O₈
• 分子量: 656.816
• InChiKey: DLWNNOCQWJPTSH-WAPCQROESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.05
• 重原子数：
  48.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  161.84
• 氢给体数：
  8.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (2s,4s,6s,8s)-2,4,6,8-tetraethyl-15,35,55,75-tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol 、 tetramethylammonium tetrafluoroborate 以 氘代甲醇 为溶剂， 生成
  参考文献：
  名称：

  卤代间苯二芳烃对四甲基铵盐的离子对识别

  摘要：

  在气相中使用电喷雾电离傅立叶变换离子回旋共振（ESI-FTICR）质谱仪分析了不同的上边缘取代的C 2-间苯二碳氮烯与四甲基铵盐的非共价相互作用，并通过11 H NMR滴定。气相中主体对四甲基铵阳离子的结合强度的顺序反映了间苯二甲烯的上边缘上的取代基的电子性质。然而，在溶液中，已经观察到具有特别高的卤代间苯二碳氮烯结合常数的趋势。这种趋势可以通过协同效应来解释，该协同效应源于卤代间苯二碳氮烷与反荷阴离子通过氢键的相互作用。这项研究强调了识别过程中弱相互作用的重要性，并指出了将气相数据与溶液实验结果进行比较的好处。

  DOI：

  10.1002/chem.201103991

文献信息

• Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three-Component Complexes
  作者：S. Maryamdokht Taimoory、Kwaku Twum、Mohadeseh Dashti、Fangfang Pan、Manu Lahtinen、Kari Rissanen、Rakesh Puttreddy、John F. Trant、Ngong Kodiah Beyeh

  DOI：10.1021/acs.joc.0c00220

  日期：2020.5.1

  C-ethyl-2-methylresorcinarene (A), pyridine (B), and a set of 10 carboxylic acids (Cn) associate to form A.B.Cn ternary assemblies with 1:1:1 stoichiometry, representing a useful class of ternary systems where the guest mediates complex formation between the host and a third component. Although individually weak in solution, the combined strength of the multiple noncovalent interactions organizes the complexes even in a highly hydrogen-bond competing methanol solution, as explored by both experimental and computational methods. The interactions between A.B and Cn are dependent on the pK(a) values of carboxylic acids. The weak interactions between A and C further reinforce the interactions between A and B, demonstrating positive cooperativity. Our results reveal that the two-component system such as that formed by A and B can form the basis for the development of specific sensors for the molecular recognition of carboxylic acids.