1-[2-[3,5-bis(ethynyl)phenyl]ethynyl]pyrene;platinum(2+);triethylphosphane;diiodide | 1431045-52-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-[2-[3,5-bis(ethynyl)phenyl]ethynyl]pyrene;platinum(2+);triethylphosphane;diiodide
• CAS: 1431045-52-1
• 化学式: C₅₂H₇₂I₂P₄Pt₂
• 分子量: 1465.01
• InChiKey: YSTZCFSWOCLIIG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.97
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-[3,5-bis(ethynyl)phenyl]ethynyl]pyrene;platinum(2+);triethylphosphane;diiodide 以 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior

  摘要：

  The design and self-assembly of novel multipyrene hexagonal metallacycles via coordination-driven self-assembly is described. By employing newly designed 120 degrees dipyridine donor and di-Pt(II) acceptor linkers substituted with pyrene, a variety of tris- and hexakis(pyrene) hexagonal metallacycles with well-defined shape and size were prepared via [3 + 3] and [6 + 6] self-assembly, respectively, under mild conditions in high yields. The structures of these novel metallacycles were well characterized by multinuclear NMR (P-31 and H-1) spectroscopy, cold-spray ionization time-of-flight mass spectrometry (CSI-TOF-MS), electrospray ionization time-of-flight mass spectrometry (ESI-TOF-MS), and elemental analysis. The shape and size of all hexagonal metallacycles were investigated by the PM6 semiempirical molecular orbital method. The preliminary study of their spectroscopic behavior was also carried out. It was found that these pyrene-modified metallacycles displayed different optical behaviors, which might be caused by the structural effects.

  DOI：

  10.1021/om301108s
• 作为产物：
  描述：

  Trimethyl-[2-[3-(2-pyren-1-ylethynyl)-5-(2-trimethylsilylethynyl)phenyl]ethynyl]silane 在 copper(l) iodide 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二乙胺 为溶剂， 反应 3.0h， 生成 1-[2-[3,5-bis(ethynyl)phenyl]ethynyl]pyrene;platinum(2+);triethylphosphane;diiodide
  参考文献：
  名称：

  Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior

  摘要：

  The design and self-assembly of novel multipyrene hexagonal metallacycles via coordination-driven self-assembly is described. By employing newly designed 120 degrees dipyridine donor and di-Pt(II) acceptor linkers substituted with pyrene, a variety of tris- and hexakis(pyrene) hexagonal metallacycles with well-defined shape and size were prepared via [3 + 3] and [6 + 6] self-assembly, respectively, under mild conditions in high yields. The structures of these novel metallacycles were well characterized by multinuclear NMR (P-31 and H-1) spectroscopy, cold-spray ionization time-of-flight mass spectrometry (CSI-TOF-MS), electrospray ionization time-of-flight mass spectrometry (ESI-TOF-MS), and elemental analysis. The shape and size of all hexagonal metallacycles were investigated by the PM6 semiempirical molecular orbital method. The preliminary study of their spectroscopic behavior was also carried out. It was found that these pyrene-modified metallacycles displayed different optical behaviors, which might be caused by the structural effects.

  DOI：

  10.1021/om301108s

文献信息

• Design and preparation of ethynyl-pyrene modified platinum–acetylide gelators and their application in dispersion of graphene
  作者：Nai-Wei Wu、Jing Zhang、Xing-Dong Xu、Hai-Bo Yang

  DOI：10.1039/c4cc04039b

  日期：——

  A series of new ethynyl-pyrene modified platinum–acetylide gelators were prepared, some of which were found to be able to incorporate graphene into the metallogel matrix.

  一系列新的乙炔基-芘修饰的铂-乙炔凝胶剂被制备，其中一些被发现能够将石墨烯融合到金属凝胶基质中。