2,3,6,7-Tetrakis(1-decyloxymethyl)tetrathiafulvalene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 2,3,6,7-Tetrakis(1-decyloxymethyl)tetrathiafulvalene
• 英文别名: 2-[4,5-Bis(decoxymethyl)-1,3-dithiol-2-ylidene]-4,5-bis(decoxymethyl)-1,3-dithiole
• 化学式: C₅₀H₉₂O₄S₄
• 分子量: 885.542
• InChiKey: YUQHLKRXOQRYOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.2
• 重原子数：
  58
• 可旋转键数：
  44
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3,6,7-Tetrakis(acetoxymethyl)tetrathiafulvalene 在 六甲基磷酰三胺 、 氢氧化钾 、 potassium hydride 、 二甲基亚砜 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2,3,6,7-Tetrakis(1-decyloxymethyl)tetrathiafulvalene
  参考文献：
  名称：

  Synthesis and Properties of 2,3,6,7-Tetrakis(alkoxymethyl)tetrathiafulvalenes

  摘要：

  A family of newly prepared tetrakis(alkoxymethyl)-substituted tetrathiafulvalene (TTF) derivatives 1 show melting point behavior typical for increasing length of their flexible alkyl chains and molecular weights. No evidence for the formation of a stable,liquid crystalline mesophase was found. The X-ray crystal structure of 1 (n = 7) shows it to have a flat central core. Its anodic reactivity is entirely parallel to that of tetrathiafulvalene itself. The dark conductivity of a thin film of 1 (n = 7) is sensitive to temperature, with dark conductivity being enhanced at higher temperatures by as much as 5 orders of magnitude from the level observed in previously studied TTFs. Short-circuit photocurrent is observed in a symmetrical ITO sandwich cell containing a thin layer of 1 (n = 7): in such a cell, charge can be separated under bias and maintained for at least 8 h.

  DOI：

  10.1021/jo00101a009

文献信息

• Synthesis and Properties of 2,3,6,7-Tetrakis(alkoxymethyl)tetrathiafulvalenes
  作者：Marye Anne Fox、Horng-long Pan

  DOI：10.1021/jo00101a009

  日期：1994.11

  A family of newly prepared tetrakis(alkoxymethyl)-substituted tetrathiafulvalene (TTF) derivatives 1 show melting point behavior typical for increasing length of their flexible alkyl chains and molecular weights. No evidence for the formation of a stable,liquid crystalline mesophase was found. The X-ray crystal structure of 1 (n = 7) shows it to have a flat central core. Its anodic reactivity is entirely parallel to that of tetrathiafulvalene itself. The dark conductivity of a thin film of 1 (n = 7) is sensitive to temperature, with dark conductivity being enhanced at higher temperatures by as much as 5 orders of magnitude from the level observed in previously studied TTFs. Short-circuit photocurrent is observed in a symmetrical ITO sandwich cell containing a thin layer of 1 (n = 7): in such a cell, charge can be separated under bias and maintained for at least 8 h.