[2-[4,5-Bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol | 321140-50-5

• 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-[4,5-Bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
• 英文别名: [2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
• CAS: 321140-50-5
• 化学式: C₃₂H₅₆O₂S₆
• 分子量: 665.191
• InChiKey: RVWIOJFTUPTYBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  40
• 可旋转键数：
  26
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  192
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [2-[4,5-Bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol 、 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 为溶剂， 以43%的产率得到
  参考文献：
  名称：

  A New Photoactive and Highly Soluble C₆₀−TTF−C₆₀ Dimer:  Charge Separation and Recombination

  摘要：

  The covalent linkage of two [60]fullerene cores to a tetrathiafulvalene (TTF) donor affords a soluble and photoactive C-60-TTF-C-60 triad, Spectroscopic and photophysical characterization of the C-60-TTF-C-60 triad are given. Although the cyclic voltammetry measurements reveal no notable interaction between the chromophores in the ground state, photophysical data show that in the excited state an intramolecular electron transfer, evolving from the TTF donor to the singlet state of C-60, prevails, yielding a long-lived charge separated radical pair.

  DOI：

  10.1021/ol006645l
• 作为产物：
  描述：

  4,5-bis(dodecylthio)-1,3-dithiole-2-thione 在 二异丁基氢化铝 、 三甲氧基磷 作用下， 以 四氢呋喃 为溶剂， 生成 [2-[4,5-Bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
  参考文献：
  名称：

  A New Photoactive and Highly Soluble C₆₀−TTF−C₆₀ Dimer:  Charge Separation and Recombination

  摘要：

  The covalent linkage of two [60]fullerene cores to a tetrathiafulvalene (TTF) donor affords a soluble and photoactive C-60-TTF-C-60 triad, Spectroscopic and photophysical characterization of the C-60-TTF-C-60 triad are given. Although the cyclic voltammetry measurements reveal no notable interaction between the chromophores in the ground state, photophysical data show that in the excited state an intramolecular electron transfer, evolving from the TTF donor to the singlet state of C-60, prevails, yielding a long-lived charge separated radical pair.

  DOI：

  10.1021/ol006645l

文献信息

• A New Photoactive and Highly Soluble C₆₀−TTF−C₆₀ Dimer:  Charge Separation and Recombination
  作者：José L. Segura、Eva M. Priego、Nazario Martín、Chuping Luo、Dirk M. Guldi

  DOI：10.1021/ol006645l

  日期：2000.12.1

  The covalent linkage of two [60]fullerene cores to a tetrathiafulvalene (TTF) donor affords a soluble and photoactive C-60-TTF-C-60 triad, Spectroscopic and photophysical characterization of the C-60-TTF-C-60 triad are given. Although the cyclic voltammetry measurements reveal no notable interaction between the chromophores in the ground state, photophysical data show that in the excited state an intramolecular electron transfer, evolving from the TTF donor to the singlet state of C-60, prevails, yielding a long-lived charge separated radical pair.