tetrakis((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methyl) 5,5'-((5-hydroxyisophthaloyl)bis(oxy))diisophthalate | 1012871-33-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: tetrakis((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methyl) 5,5'-((5-hydroxyisophthaloyl)bis(oxy))diisophthalate
• CAS: 1012871-33-8
• 化学式: C₁₀₈H₆₂O₁₃S₁₆
• 分子量: 2080.73
• InChiKey: DIQQRJHJEUGLBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.62
• 重原子数：
  137.0
• 可旋转键数：
  16.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  178.03
• 氢给体数：
  1.0
• 氢受体数：
  29.0

反应信息

• 作为反应物：
  描述：

  tetrakis((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methyl) 5,5'-((5-hydroxyisophthaloyl)bis(oxy))diisophthalate 、 [6,6]-phenyl-C61-butyric acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  An Electroactive Dynamically Polydisperse Supramolecular Dendrimer

  摘要：

  We describe the synthesis and supramolecular properties of a bifurcated molecule decorated with two units of an in-house receptor for [60]fullerene, based on the electron donor exTTF, and a PC(61)BA derivative as recognizing units. This monomer self-, assembles to form arborescent and dynamically polydisperse supramolecular aggregates, mainly through pi-pi interactions. This constitutes a fundamentally novel kind of organization of electroactive materials that lies at the interface between dendrimers and supramolecular polymers.

  DOI：

  10.1021/ja710505h
• 作为产物：
  描述：

  C₁₁₄H₇₆O₁₃S₁₆Si 在 氢氟酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以89%的产率得到tetrakis((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methyl) 5,5'-((5-hydroxyisophthaloyl)bis(oxy))diisophthalate
  参考文献：
  名称：

  Large exTTF-Based Dendrimers. Self-Assembly and Peripheral Cooperative Multiencapsulation of C₆₀

  摘要：

  The convergent synthesis of large monodisperse dendrimers, up to the fourth generation, decorated in their periphery with pi-extended tetrathiafulvalene units is reported, and their redox and supramolecular properties are investigated. A number of experiments (MALDI-TOF, H-1 NMR at variable temperature and different concentration, DLS, AFM and SEM imaging) confirm the self -aggregation process of these dendrimers, despite the butterfly-like shape of the exTTF units, highly distorted from planarity, to form large supramolecular architectures in the gas phase, in solution, and on a mica surface. Dendrimers 5, 9, and 12 host a number of C-60 molecules to form segregated arrays of donor and acceptor units which could give rise to valuable materials useful for the preparation of optoelectronic devices. UV-vis fitration experiments demonstrate that complexation of C-60 occurs in a positive cooperative manner. Cyclic voltammetry experiments show that the peripheral exTTF units are involved in multioxidation processes. The self-diffusion coefficients (D) of the dendrimers reported herein and the previously reported exTTF (1) and tweezer (2) have been calculated from their chronoamperograms at different concentrations and by the Cottrell equation and, where possible, by PFG-NMR. The calculated values for D demonstrate the decrease of this magnitude with increasing dendrimer size.

  DOI：

  10.1021/ja8018498