5,5'-Bis-(5-chloro-pentyl)-4,6,4',6'-tetramethyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene] | 187160-24-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5,5'-Bis-(5-chloro-pentyl)-4,6,4',6'-tetramethyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene]
• 英文别名: 5-(5-Chloropentyl)-2-[5-(5-chloropentyl)-4,6-dimethyl-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-4,6-dimethyl-[1,3]dithiolo[4,5-c]pyrrole
• CAS: 187160-24-3
• 化学式: C₂₄H₃₂Cl₂N₂S₄
• 分子量: 547.701
• InChiKey: JAAYHLIFFLOIJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,5'-Bis-(5-chloro-pentyl)-4,6,4',6'-tetramethyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene] 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 48.0h， 以77%的产率得到5,5'-Bis-(5-iodo-pentyl)-4,6,4',6'-tetramethyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene]
  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：

  1-溴-5-氯戊烷 、 bis(2,5-dimethylpyrrolo[3,4-d])tetrathiafulvalene 在 sodium hydride 作用下， 生成 5,5'-Bis-(5-chloro-pentyl)-4,6,4',6'-tetramethyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene]
  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.