hexakis[2-(4,5-bis(dodecylthio)-1,3-dithiol-2-ylidene)-(1,3)-dithiolo[4,5-c]-N-pyrrolyl]benzene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: hexakis[2-(4,5-bis(dodecylthio)-1,3-dithiol-2-ylidene)-(1,3)-dithiolo[4,5-c]-N-pyrrolyl]benzene
• 英文别名: 2-[4,5-Bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-[2,3,4,5,6-pentakis[2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrol-5-yl]phenyl]-[1,3]dithiolo[4,5-c]pyrrole；2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-5-[2,3,4,5,6-pentakis[2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrol-5-yl]phenyl]-[1,3]dithiolo[4,5-c]pyrrole
• 化学式: C₁₉₈H₃₁₂N₆S₃₆
• 分子量: 3931.07
• InChiKey: NQRMHBQDTGSYJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  92.1
• 重原子数：
  240
• 可旋转键数：
  150
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  940
• 氢给体数：
  0
• 氢受体数：
  36

反应信息

• 作为产物：
  描述：

  六氟苯 、 2-(4,5-bis(dodecylthio)-1,3-dithiol-2-ylidene)-(1,3)-dithiolo[4,5-c]pyrrole 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 0.5h， 以71%的产率得到hexakis[2-(4,5-bis(dodecylthio)-1,3-dithiol-2-ylidene)-(1,3)-dithiolo[4,5-c]-N-pyrrolyl]benzene
  参考文献：
  名称：

  Star-Shaped Pyrrole-Fused Tetrathiafulvalene Oligomers: Synthesis and Redox, Self-Assembling, and Conductive Properties

  摘要：

  A series of star-shaped pyrrole-fused tetrathiafulvalene (TTF) oligomers 1-3 was synthesized via an SNAr reaction of fluorinated benzenes with the pyrrolyl sodium salts. Electrochemical and chemical oxidations of 1-3 revealed that a radical cation moiety on each TTF unit was successfully accumulated in all oligomers. Self-assembled structures of neutral and oxidized species were characterized by SEM and XRD, and their conductive properties of the Iodine-doped 1-3 as well as an intermolecular mixed-valence ion radical salt were investigated.

  DOI：

  10.1021/ol2014279

文献信息

• Star-Shaped Pyrrole-Fused Tetrathiafulvalene Oligomers: Synthesis and Redox, Self-Assembling, and Conductive Properties
  作者：Masayoshi Takase、Naofumi Yoshida、Tohru Nishinaga、Masahiko Iyoda

  DOI：10.1021/ol2014279

  日期：2011.8.5

  A series of star-shaped pyrrole-fused tetrathiafulvalene (TTF) oligomers 1-3 was synthesized via an SNAr reaction of fluorinated benzenes with the pyrrolyl sodium salts. Electrochemical and chemical oxidations of 1-3 revealed that a radical cation moiety on each TTF unit was successfully accumulated in all oligomers. Self-assembled structures of neutral and oxidized species were characterized by SEM and XRD, and their conductive properties of the Iodine-doped 1-3 as well as an intermolecular mixed-valence ion radical salt were investigated.