4,5-bis((4-methoxy-3,5-dimethylpyridine-2-yl)-methylthio)-4',5'-(ethylenedithio)tetrathiafulvalene | 956028-62-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5-bis((4-methoxy-3,5-dimethylpyridine-2-yl)-methylthio)-4',5'-(ethylenedithio)tetrathiafulvalene
• CAS: 956028-62-9
• 化学式: C₂₆H₂₈N₂O₂S₈
• 分子量: 657.049
• InChiKey: XMAQFTVCAGAJRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.71
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.24
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  cobalt(II) bromide hexahydrate 、 4,5-bis((4-methoxy-3,5-dimethylpyridine-2-yl)-methylthio)-4',5'-(ethylenedithio)tetrathiafulvalene 以 乙腈 为溶剂， 以74%的产率得到[(4,5-bis((4-methoxy-3,5-dimethylpyridine-2-yl)-methylthio)-4',5'-(ethylenedithio)tetrathiafulvalene)dibromocobalt(II)]
  参考文献：
  名称：

  Synthesis, crystal structures and properties of substituted-pyridyl functionalized bis(ethylenedithio)tetrathiafulvalene derivatives and their corresponding Ni(II) and Co(II) complexes

  摘要：

  Three substituted-pyridyl functionalized bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) derivatives 1-3 and their corresponding Ni(II) and Co(II) complexes have been synthesized and characterized. Their electrochemical properties in CH2Cl2, solution have been investigated by cyclic voltammetry and two reversible single-electron oxidation waves for the TTF moiety are observed. Crystal structure analyses were carried out for compound 2 as well as for the Co(II) complex of 1 (7). (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.035