(24E,65E)-92-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-19,30,60,71-tetraoxo-20,29,61,70-tetraoxaundecacyclo[78.2.2.27,10.239,42.248,51.12,6.143,47.013,18.031,36.054,59.072,77]dononaconta-1(82),2(92),3,5,7(91),8,10(90),13,15,17,24,31,33,35,39(89),40,42(88),43,45,47(87),48,50,54,56,58,65,72,74,76,80,83,85-dotriacontaen-11,37,52,78-tetrayne-87-carboxylic acid | 1426399-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (24E,65E)-92-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-19,30,60,71-tetraoxo-20,29,61,70-tetraoxaundecacyclo[78.2.2.27,10.239,42.248,51.12,6.143,47.013,18.031,36.054,59.072,77]dononaconta-1(82),2(92),3,5,7(91),8,10(90),13,15,17,24,31,33,35,39(89),40,42(88),43,45,47(87),48,50,54,56,58,65,72,74,76,80,83,85-dotriacontaen-11,37,52,78-tetrayne-87-carboxylic acid
• CAS: 1426399-55-4
• 化学式: C₁₀₆H₈₆N₂O₁₀
• 分子量: 1547.86
• InChiKey: NIBOBRCCZADXRZ-NTDMMSCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.5
• 重原子数：
  118
• 可旋转键数：
  7
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  167
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  C₆₃H₅₆N₂O₄ 、 C₄₇H₃₈O₆ 在 Grubbs catalyst first generation 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 (24E,65E)-92-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-19,30,60,71-tetraoxo-20,29,61,70-tetraoxaundecacyclo[78.2.2.27,10.239,42.248,51.12,6.143,47.013,18.031,36.054,59.072,77]dononaconta-1(82),2(92),3,5,7(91),8,10(90),13,15,17,24,31,33,35,39(89),40,42(88),43,45,47(87),48,50,54,56,58,65,72,74,76,80,83,85-dotriacontaen-11,37,52,78-tetrayne-87-carboxylic acid 、 、 (24Z,65Z)-92-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-19,30,60,71-tetraoxo-20,29,61,70-tetraoxaundecacyclo[78.2.2.27,10.239,42.248,51.12,6.143,47.013,18.031,36.054,59.072,77]dononaconta-1(82),2(92),3,5,7(91),8,10(90),13,15,17,24,31,33,35,39(89),40,42(88),43,45,47(87),48,50,54,56,58,65,72,74,76,80,83,85-dotriacontaen-11,37,52,78-tetrayne-87-carboxylic acid
  参考文献：
  名称：

  idi-羧酸盐盐桥协助的螺旋扭曲[1 + 1]大环的合成及其手性的控制†

  摘要：

  通过o-，m-和p-链接（o - 2，m - 2和p - 2）连接的一系列光学活性，螺旋扭曲的[1 + 1]大环）由相应的线性双链体制备，该线性双链体通过闭环易位反应通过两端带有末端带有乙烯基的两个臂的互补am-羧酸盐盐桥稳定，分别具有67％，92％和96％的良好收率。大环的手性特性取决于接头的几何形状，并可以通过酸碱相互作用和锌配位控制，其中的变化可以通过其CD和吸收光谱变化以及荧光颜色来检测。

  DOI：

  10.1039/c2ob27054d

文献信息

• Synthesis of helically twisted [1 + 1]macrocycles assisted by amidinium–carboxylate salt bridges and control of their chiroptical properties
  作者：Yuji Nakatani、Yoshio Furusho、Eiji Yashima

  DOI：10.1039/c2ob27054d

  日期：——

  with terminal vinyl groups at both ends through the ring-closing metathesis reaction in the good yields of 67, 92, and 96%, respectively. The chiroptical properties of the macrocycles were dependent on the linker geometries and could be controlled by acid–base interactions and zinc coordination, the changes in which were detected by their CD and absorption spectral changes and fluorescence colors.

  通过o-，m-和p-链接（o - 2，m - 2和p - 2）连接的一系列光学活性，螺旋扭曲的[1 + 1]大环）由相应的线性双链体制备，该线性双链体通过闭环易位反应通过两端带有末端带有乙烯基的两个臂的互补am-羧酸盐盐桥稳定，分别具有67％，92％和96％的良好收率。大环的手性特性取决于接头的几何形状，并可以通过酸碱相互作用和锌配位控制，其中的变化可以通过其CD和吸收光谱变化以及荧光颜色来检测。