4,5-Bis-(4-chloro-butylsulfanyl)-4',5'-bis-methylsulfanyl-[2,2']bi[[1,3]dithiolylidene] | 187160-16-3

• 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: 4,5-Bis-(4-chloro-butylsulfanyl)-4',5'-bis-methylsulfanyl-[2,2']bi[[1,3]dithiolylidene]
• 英文别名: 2-[4,5-Bis(4-chlorobutylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
• CAS: 187160-16-3
• 化学式: C₁₆H₂₂Cl₂S₈
• 分子量: 541.785
• InChiKey: SMKPDGGBTJGLJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,5-Bis-(4-chloro-butylsulfanyl)-4',5'-bis-methylsulfanyl-[2,2']bi[[1,3]dithiolylidene] 在 sodium iodide 作用下， 以 丙酮 为溶剂， 以82%的产率得到4,5-Bis-(4-iodo-butylsulfanyl)-4',5'-bis-methylsulfanyl-[2,2']bi[[1,3]dithiolylidene]
  参考文献：
  名称：

  Stable Macrocyclic and Tethered Donor−Acceptor Systems. Intramolecular Bipyridinium and Tetrathiafulvalene Assemblies

  摘要：

  A series of compounds has been prepared in which a tetrathiafulvalene (TTF)-derived donor is covalently tethered or bridged to one or more bipyridinium (viologen) accepters. The relative degree of charge transfer observed in this series is discussed as a function of structure. The greatest CT effect is seen in the cyclophanes 9a-c and 13.

  DOI：

  10.1021/jo961782a
• 作为产物：
  描述：

  2,3-bis(2-cyanoethylthio)-6,7-bis(methylthio)tetrathiafulvelene 在 cesium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以78%的产率得到4,5-Bis-(4-chloro-butylsulfanyl)-4',5'-bis-methylsulfanyl-[2,2']bi[[1,3]dithiolylidene]
  参考文献：
  名称：

  Stable Macrocyclic and Tethered Donor−Acceptor Systems. Intramolecular Bipyridinium and Tetrathiafulvalene Assemblies

  摘要：

  A series of compounds has been prepared in which a tetrathiafulvalene (TTF)-derived donor is covalently tethered or bridged to one or more bipyridinium (viologen) accepters. The relative degree of charge transfer observed in this series is discussed as a function of structure. The greatest CT effect is seen in the cyclophanes 9a-c and 13.

  DOI：

  10.1021/jo961782a

文献信息

• Stable Macrocyclic and Tethered Donor−Acceptor Systems. Intramolecular Bipyridinium and Tetrathiafulvalene Assemblies
  作者：Klaus B. Simonsen、Kyukwan Zong、Robin D. Rogers、Michael P. Cava、Jan Becher

  DOI：10.1021/jo961782a

  日期：1997.2.1

  A series of compounds has been prepared in which a tetrathiafulvalene (TTF)-derived donor is covalently tethered or bridged to one or more bipyridinium (viologen) accepters. The relative degree of charge transfer observed in this series is discussed as a function of structure. The greatest CT effect is seen in the cyclophanes 9a-c and 13.