21,27,33,38-Tetratert-butyl-42,43-dimethoxy-10-(21,27,33,38-tetratert-butyl-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaen-10-ylidene)-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene | 1256288-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 21,27,33,38-Tetratert-butyl-42,43-dimethoxy-10-(21,27,33,38-tetratert-butyl-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaen-10-ylidene)-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene
• 英文别名: 21,27,33,38-tetratert-butyl-42,43-dimethoxy-10-(21,27,33,38-tetratert-butyl-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaen-10-ylidene)-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene
• CAS: 1256288-77-3
• 化学式: C₁₀₂H₁₂₄O₈S₁₆
• 分子量: 1991.16
• InChiKey: QOFMHBMUXLQHBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.6
• 重原子数：
  126
• 可旋转键数：
  12
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  479
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以20%的产率得到21,27,33,38-Tetratert-butyl-42,43-dimethoxy-10-(21,27,33,38-tetratert-butyl-42,43-dimethoxy-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaen-10-ylidene)-3,17-dioxa-7,9,11,13,24,30,35,41-octathiaheptacyclo[17.15.7.125,29.136,40.02,31.08,12.018,23]tritetraconta-1,8(12),18,20,22,25(43),26,28,31,33,36,38,40(42)-tridecaene
  参考文献：
  名称：

  氧化还原活性噻唑杯[4]芳烃-四硫富瓦烯组装体的合成及电化学行为

  摘要：

  通过四硫富瓦烯（TTF）骨架桥接的第一个bisthiacalix [4]芳烃体系的合成已通过亚磷酸三乙酯介导的相应的1,3-二硫代-2-酮的脱硫二聚作用进行。提供了由电活性TTF单元束缚的生成的bisthiacalix [4]芳烃的循环伏安图，在引入Ag +的情况下，表现出电化学响应。

  DOI：

  10.1016/j.tetlet.2010.08.116

文献信息

• Synthesis and electrochemical behavior of a model redox-active thiacalix[4]arene-tetrathiafulvalene assembly
  作者：Bang-Tun Zhao、Zhen Zhou、Zhen-Ning Yan、Esmah Belhadj、Franck Le Derf、Marc Sallé

  DOI：10.1016/j.tetlet.2010.08.116

  日期：2010.11

  Syntheses of the first bisthiacalix[4]arenes systems bridged by a tetrathiafulvalene (TTF) framework have been carried out through triethyl phosphite-mediated dechalcogenation dimerization of the corresponding 1,3-dithiole-2-ones. The cyclic voltammograms of the resulting bisthiacalix[4]arenes tethered by an electroactive TTF unit are provided, and exhibit an electrochemical response in the case of

  通过四硫富瓦烯（TTF）骨架桥接的第一个bisthiacalix [4]芳烃体系的合成已通过亚磷酸三乙酯介导的相应的1,3-二硫代-2-酮的脱硫二聚作用进行。提供了由电活性TTF单元束缚的生成的bisthiacalix [4]芳烃的循环伏安图，在引入Ag +的情况下，表现出电化学响应。