3,6-bis(1-ethynylphenylethynyl)phenantrene | 918778-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 3,6-bis(1-ethynylphenylethynyl)phenantrene
• 英文别名: 3,6-Bis[(4-ethynylphenyl)ethynyl]phenanthrene；3,6-bis[2-(4-ethynylphenyl)ethynyl]phenanthrene
• CAS: 918778-87-7
• 化学式: C₃₄H₁₈
• 分子量: 426.517
• InChiKey: AXDRECHDDXXGJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3,6-二溴-菲 在 四(三苯基膦)钯 氢氧化钾 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 74.0h， 生成 3,6-bis(1-ethynylphenylethynyl)phenantrene
  参考文献：
  名称：

  The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M₃L₂ Trigonal-Bipyramidal Cages

  摘要：

  By employing the coupling reaction of trans-PtI2(Et-3)(2) with C-H bonds in alkynes as the key step, two new 60 organometallic subunits with different size from 3,6-dibromophenanthrene were prepared in reasonable yields. The X-ray structures of both di-Pt(II) diiodide complexes showed that they were indeed suitable candidates for 60 building units. By utilizing these novel linkers as ditopic acceptor subunits, three M3L2 trigonal-bipyramidal (TBP) cages were formed. All three TBP cages were characterized with multinuclear NMR and electrospray ionization mass spectrometry (ESI-MS) along with element analysis.

  DOI：

  10.1021/jo061779j

文献信息

• The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M₃L₂ Trigonal-Bipyramidal Cages
  作者：Hai-Bo Yang、Koushik Ghosh、Atta M. Arif、Peter J. Stang

  DOI：10.1021/jo061779j

  日期：2006.12.1

  By employing the coupling reaction of trans-PtI2(Et-3)(2) with C-H bonds in alkynes as the key step, two new 60 organometallic subunits with different size from 3,6-dibromophenanthrene were prepared in reasonable yields. The X-ray structures of both di-Pt(II) diiodide complexes showed that they were indeed suitable candidates for 60 building units. By utilizing these novel linkers as ditopic acceptor subunits, three M3L2 trigonal-bipyramidal (TBP) cages were formed. All three TBP cages were characterized with multinuclear NMR and electrospray ionization mass spectrometry (ESI-MS) along with element analysis.