3-[2-[5-Methyl-4-[2-[2-methyl-5-(2-pyridin-3-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]ethynyl]pyridine | 1033038-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-[2-[5-Methyl-4-[2-[2-methyl-5-(2-pyridin-3-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]ethynyl]pyridine
• 英文别名: 3-[2-[5-methyl-4-[2-[2-methyl-5-(2-pyridin-3-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]ethynyl]pyridine
• CAS: 1033038-98-0
• 化学式: C₂₉H₂₂N₂S₂
• 分子量: 462.639
• InChiKey: GAPHUGOMGRWFQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-乙炔基吡啶 、 1,2-bis(5'-iodo-2'-methylthien-3'-yl)-cyclopentene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以75%的产率得到3-[2-[5-Methyl-4-[2-[2-methyl-5-(2-pyridin-3-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]thiophen-2-yl]ethynyl]pyridine
  参考文献：
  名称：

  Toward Long-Distance Mechanical Communication: Studies on a Ternary Complex Interconnected by a Bridging Rotary Module

  摘要：

  A heterotropic ternary complex was obtained from a photochromic dithienylethene derivative bearing pyridyl groups (1), a chiral tetrasubstituted ferrocene as a scissoring component bearing two pyridyl and free-base porphyrin groups (3*), and a biaryl derivative as an intermediately bridging component bearing four zinc porphyrin handles (2). The three components are connected together via bidentate coordination bonds and mechanically interconnected. Exposure of the ternary complex to UV or visible light allowed for the isomerization of 1. This configurational change gave rise to an angular motion of 2, resulting in a scissoring motion of 3*. In the absence of 2, the isomerization of 1 does not lead to any defined motions of 3*. Thus, the heterotropic ternary complex may be regarded as a prototype of "molecular reacher" for remote manipulation of molecular events.

  DOI：

  10.1021/ja801646b

文献信息

• Toward Long-Distance Mechanical Communication: Studies on a Ternary Complex Interconnected by a Bridging Rotary Module
  作者：Hiroyuki Kai、Shinji Nara、Kazushi Kinbara、Takuzo Aida

  DOI：10.1021/ja801646b

  日期：2008.5.1

  A heterotropic ternary complex was obtained from a photochromic dithienylethene derivative bearing pyridyl groups (1), a chiral tetrasubstituted ferrocene as a scissoring component bearing two pyridyl and free-base porphyrin groups (3*), and a biaryl derivative as an intermediately bridging component bearing four zinc porphyrin handles (2). The three components are connected together via bidentate coordination bonds and mechanically interconnected. Exposure of the ternary complex to UV or visible light allowed for the isomerization of 1. This configurational change gave rise to an angular motion of 2, resulting in a scissoring motion of 3*. In the absence of 2, the isomerization of 1 does not lead to any defined motions of 3*. Thus, the heterotropic ternary complex may be regarded as a prototype of "molecular reacher" for remote manipulation of molecular events.