[2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate | 1257523-30-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
• 英文别名: [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
• CAS: 1257523-30-0
• 化学式: C₈₀H₈₀O₁₂S₁₆
• 分子量: 1746.56
• InChiKey: QBRXIFQVLAPDOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.3
• 重原子数：
  108
• 可旋转键数：
  28
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  547
• 氢给体数：
  0
• 氢受体数：
  28

反应信息

• 作为产物：
  描述：

  4-(hydroxymethyl)tetrathiafulvalene 、 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetracarboxymethoxycalix[4]arene 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以60%的产率得到[2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
  参考文献：
  名称：

  An electron-rich three dimensional receptor based on a calixarene-tetrathiafulvalene assembly

  摘要：

  The synthesis of a calix[4]arene scaffold persubstituted with four redox-active tetrathiafulvalene (TTF) moieties at the lower rim is described. This assembly strongly binds sodium cation, and the binding process is accompanied by a conformational change of the receptor, as shown from NMR titration and by an X-ray diffraction led on the complex. This dynamic behavior remarkably results in a modification of the electrochemical response of TTF probes, which behave independently after sodium complexation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.112

文献信息

• An electron-rich three dimensional receptor based on a calixarene-tetrathiafulvalene assembly
  作者：Joël Lyskawa、David Canevet、Magali Allain、Marc Sallé

  DOI：10.1016/j.tetlet.2010.08.112

  日期：2010.11

  The synthesis of a calix[4]arene scaffold persubstituted with four redox-active tetrathiafulvalene (TTF) moieties at the lower rim is described. This assembly strongly binds sodium cation, and the binding process is accompanied by a conformational change of the receptor, as shown from NMR titration and by an X-ray diffraction led on the complex. This dynamic behavior remarkably results in a modification of the electrochemical response of TTF probes, which behave independently after sodium complexation. (C) 2010 Elsevier Ltd. All rights reserved.