3,6-bis(1-iodophenylethynyl)phenantrene | 918778-85-5

• 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-iodophenylethynyl)phenantrene
• 英文别名: 3,6-Bis[(4-iodophenyl)ethynyl]phenanthrene；3,6-bis[2-(4-iodophenyl)ethynyl]phenanthrene
• CAS: 918778-85-5
• 化学式: C₃₀H₁₆I₂
• 分子量: 630.266
• InChiKey: PELMWGLNYLSPKD-UHFFFAOYSA-N

物化性质

• 熔点：
  238-239 °C
• 沸点：
  692.5±45.0 °C(Predicted)
• 密度：
  1.82±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  32
• 可旋转键数：
  4
• 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

• 作为反应物：
  描述：

  3,6-bis(1-iodophenylethynyl)phenantrene 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 40.0h， 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
• 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 34.0h， 生成 3,6-bis(1-iodophenylethynyl)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.