1-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)pentyl]-1,4,8,11-tetrazacyclotetradecane | 908336-96-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)pentyl]-1,4,8,11-tetrazacyclotetradecane
• CAS: 908336-96-9
• 化学式: C₂₂H₄₀N₄O₃S
• 分子量: 440.651
• InChiKey: GEFNPAYEPFPLFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  95.3
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  hexaaquanickel(II) tetrafluoroborate 、 1-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)pentyl]-1,4,8,11-tetrazacyclotetradecane 以 甲醇 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  A [Ni(cyclam)]2+-functionalised poly(3,4-ethylenedioxythiophene): Synthesis, electropolymerisation and characterisation of the polymer by cyclic voltammetry and in situ reflectance FTIR spectroscopy

  摘要：

  A 1,4,.8,11-tetraazacyclotetradecane (cyclam) derivative of 3,4-ethylenedioxythiophene (EDOT) has been synthesised. Its square planar Ni(II) tetrafluorobo rate complex has been electrochemically polymerised, with EDOT itself, to give a highly stable conducting polymer with covalently attached [Ni(cyclam)](2+) Moieties. The cyclic voltammogram shows redox behaviour typical of a functionalised PEDOT, with the reversible Ni(II)-Ni(III) process of the [Ni(cyclam)](2+) complex superimposed. Reflectance in situ FTIR spectroscopy (RIFTIRS) shows that the presence of the metal complex has a profound influence upon the behaviour of the electronic band of the oxidised form of the polymer, and of the vibrational signature due to the charge carriers. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.12.001