2-[4-[2-[2-[4-[Bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy]ethoxy]ethylsulfanyl]-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5-[[4-[[3,4,5-tris[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-[1,3]dithiolo[4,5-c]pyrrole | 314286-47-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[4-[2-[2-[4-[Bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy]ethoxy]ethylsulfanyl]-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5-[[4-[[3,4,5-tris[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-[1,3]dithiolo[4,5-c]pyrrole
• CAS: 314286-47-0
• 化学式: C₉₈H₁₁₃NO₁₅S₆
• 分子量: 1737.37
• InChiKey: KMGHULQVVXOYGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.3
• 重原子数：
  120
• 可旋转键数：
  51
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  295
• 氢给体数：
  0
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate) 、 2-[4-[2-[2-[4-[Bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy]ethoxy]ethylsulfanyl]-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5-[[4-[[3,4,5-tris[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-[1,3]dithiolo[4,5-c]pyrrole 以 N,N-二甲基甲酰胺 为溶剂， 反应 144.0h， 以8%的产率得到
  参考文献：
  名称：

  Self-Assembly of an Amphiphilic [2]Rotaxane Incorporating a Tetrathiafulvalene Unit

  摘要：

  [GRAPHICS]The template-directed synthesis of a [2]rotaxane, in which a pi -electron deficient ring component-cyclobis(paraquat-p-phenylene)-is assembled around a pi -electron rich asymmetric monopyrrolotetrathiafulvalene unit on the rod section of an amphiphilic dumbbell component that is terminated by a hydrophilic dendritic stopper at one end and a hydrophobic tetraarylmethane stopper at the other end, is reported.

  DOI：

  10.1021/ol006387s
• 作为产物：
  描述：

  2-[4-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy]ethoxy]ethylsulfanyl]-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5H-[1,3]dithiolo[4,5-c]pyrrole 、 4-{3,4,5-tris-[p-(2-(2-methoxy)ethoxy)ethoxybenzyloxy]benzyloxy}benzyl chloride 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 以80%的产率得到2-[4-[2-[2-[4-[Bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy]ethoxy]ethylsulfanyl]-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5-[[4-[[3,4,5-tris[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-[1,3]dithiolo[4,5-c]pyrrole
  参考文献：
  名称：

  Self-Assembly of an Amphiphilic [2]Rotaxane Incorporating a Tetrathiafulvalene Unit

  摘要：

  [GRAPHICS]The template-directed synthesis of a [2]rotaxane, in which a pi -electron deficient ring component-cyclobis(paraquat-p-phenylene)-is assembled around a pi -electron rich asymmetric monopyrrolotetrathiafulvalene unit on the rod section of an amphiphilic dumbbell component that is terminated by a hydrophilic dendritic stopper at one end and a hydrophobic tetraarylmethane stopper at the other end, is reported.

  DOI：

  10.1021/ol006387s

文献信息

• Amphiphilic Bistable Rotaxanes
  作者：Jan O. Jeppesen、Kent A. Nielsen、Julie Perkins、Scott A. Vignon、Alberto Di Fabio、Roberto Ballardini、M. Teresa Gandolfi、Margherita Venturi、Vincenzo Balzani、Jan Becher、J. Fraser Stoddart

  DOI：10.1002/chem.200204589

  日期：2003.7.7

  in the physical properties of these rotaxanes. The bistable [2]rotaxanes were both isolated as brown solids. 1 H NMR and UV-visible spectroscopy, and electrochemical investigations, reveal the presence of both possible translational isomers at ambient temperature. As a consequence of the existence of both possible translational isomers in these bistable [2]rotaxanes, they exhibit a complex electrochemical

  已经合成和表征了两亲、双稳态[2]轮烷形式的两种分子穿梭/开关——一种慢速一种和一种快速一种。两种 [2] 轮烷都含有疏水性四芳基甲烷和亲水性树枝状终止剂。它们由两个富含 π 电子的站组成——一个单吡咯并四硫富瓦烯单元和一个 1,5-二氧萘部分——它们可以作为四阳离子环芳环双（百草枯-对苯）的识别位点，在周围存在。此外，还研究了一种模型 [2] 轮烷，该模型仅在两亲哑铃组件的杆段中包含单吡咯并四硫富瓦烯单元和环双（百草枯-对苯）作为环组件。哑铃形组件是使用常规合成方法构建的，以组装 1) 疏水性，四芳基甲烷终止剂和 2) 亲水性树枝状终止剂。接下来，3) 疏水性终止剂通过适当的烷基化与 1,5-二氧萘部分和/或单吡咯并四硫富瓦烯单元融合，然后 4) 连接亲水性终止剂，再次通过烷基化得到哑铃形化合物。最后，5）[2]轮烷通过使用哑铃作为模板自组装形成环双（百草枯-对亚苯基）四阳离子。两种 [2]
• Molecular-Based Electronically Switchable Tunnel Junction Devices
  作者：C. Patrick Collier、Jan O. Jeppesen、Yi Luo、Julie Perkins、Eric W. Wong、James R. Heath、J. Fraser Stoddart

  DOI：10.1021/ja0114456

  日期：2001.12.19

  Solid-state tunnel junction devices were fabricated from Langmuir Blodgett molecular monolayers of a bistable [2]catenane, a bistable [2]pseudorotaxane, and a single-station [2]rotaxane. All devices exhibited a (noncapacitive) hysteretic current-voltage response that switched the device between high- and low-conductivity states, although control devices exhibited no such response. Correlations between the structure and solution-phase dynamics of the molecular and supramolecular systems, the crystallographic domain structure of the monolayer film, and the room-temperature device performance characteristics are reported.