4-[2-[9,10-Bis(phenylmethoxy)-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine | 1346783-09-2

• 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: 4-[2-[9,10-Bis(phenylmethoxy)-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
• CAS: 1346783-09-2
• 化学式: C₄₂H₂₈N₂O₂
• 分子量: 592.697
• InChiKey: UNVGPRZXGQJNIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[2-[9,10-Bis(phenylmethoxy)-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine 、 以 二氯甲烷 为溶剂， 反应 12.0h， 以97%的产率得到
  参考文献：
  名称：

  通过定向金属配体键合方法自组装的of修饰的菱形金属树状大分​​子

  摘要：

  介绍了通过定向金属-配体键合方法设计和修饰pyr修饰的菱形金属树枝状大分子R1 - R6 。通过使用含pyr的120°di-Pt（II）受体和适当的60°树枝状二吡啶基供体，制备了各种[ G-1 ]-[ G-3 ] pyr改性的菱形金属树状大分子在温和条件下高产。超分子树状大分子通过多核NMR（1 H和31P）和质谱（CSI-TOF-MS）。同位素分辨质谱数据支持存在带有菱形腔的pyr修饰的树枝状大分子的存在，而NMR数据与所有集合体的形成都一致。使用PM6半经验分子轨道方法研究了所有菱形树枝状大分子的形状和大小。还研究了它们的主要光化学性质。

  DOI：

  10.1002/cjoc.201300247
• 作为产物：
  描述：

  3,6-二溴菲-9,10-二醇 在 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 4-[2-[9,10-Bis(phenylmethoxy)-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
  参考文献：
  名称：

  Design and Synthesis of 60° Dendritic Donor Ligands and Their Coordination-Driven Self-Assembly into Supramolecular Rhomboidal Metallodendrimers

  摘要：

  The design and self-assembly of novel rhomboidal metallodendrimers via coordination-driven self-assembly is described. By employing newly designed 60 degrees ditopic donor linkers substituted with Frechet-type dendrons and appropriate 120 degrees rigid di-Pt(II) acceptor subunits, a variety of [G-1] [G-3] rhomboidal metallodendrimers with well-defined shape and size were prepared under mild conditions in high yields. The supramolecular metalloden-drimers were characterized with multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Isotopically resolved mass spectrometry data support the existence of the metallodendrimers with rhomboidal cavities, and NMR data were consistent with the formation of all ensembles. The shape and size of all rhomboidal metallodendrimers were investigated with the PM6 semiempirical molecular orbital method.

  DOI：

  10.1021/jo201594u

文献信息

• Design and Synthesis of 60° Dendritic Donor Ligands and Their Coordination-Driven Self-Assembly into Supramolecular Rhomboidal Metallodendrimers
  作者：Qing Han、Quan-Jie Li、Jiuming He、Bingjie Hu、Hongwei Tan、Zeper Abliz、Cui-Hong Wang、Yihua Yu、Hai-Bo Yang

  DOI：10.1021/jo201594u

  日期：2011.12.2

  The design and self-assembly of novel rhomboidal metallodendrimers via coordination-driven self-assembly is described. By employing newly designed 60 degrees ditopic donor linkers substituted with Frechet-type dendrons and appropriate 120 degrees rigid di-Pt(II) acceptor subunits, a variety of [G-1] [G-3] rhomboidal metallodendrimers with well-defined shape and size were prepared under mild conditions in high yields. The supramolecular metalloden-drimers were characterized with multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Isotopically resolved mass spectrometry data support the existence of the metallodendrimers with rhomboidal cavities, and NMR data were consistent with the formation of all ensembles. The shape and size of all rhomboidal metallodendrimers were investigated with the PM6 semiempirical molecular orbital method.
• Self-assembly of Pyrene-modified Rhomboidal Metallodendrimers<i>via</i>Directional Metal-ligand Bonding Approach
  作者：Menglan He、Qing Han、Jiuming He、Quanjie Li、Zeper Abliz、Hongwei Tan、Lin Xu、Haibo Yang

  DOI：10.1002/cjoc.201300247

  日期：2013.5

  The design and self‐assembly of pyrene‐modified rhomboidal metallodendrimers R1–R6 via directional metal‐ligand bonding approach is described. By employing pyrene‐containing 120° di‐Pt(II) acceptor and appropriate 60° dendritic dipyridyl donors, a variety of [G‐1]–[G‐3] pyrene‐modified rhomboidal metallodendrimers with well‐defined shape and size were prepared under mild conditions in high yields.

  介绍了通过定向金属-配体键合方法设计和修饰pyr修饰的菱形金属树枝状大分子R1 - R6 。通过使用含pyr的120°di-Pt（II）受体和适当的60°树枝状二吡啶基供体，制备了各种[ G-1 ]-[ G-3 ] pyr改性的菱形金属树状大分子在温和条件下高产。超分子树状大分子通过多核NMR（1 H和31P）和质谱（CSI-TOF-MS）。同位素分辨质谱数据支持存在带有菱形腔的pyr修饰的树枝状大分子的存在，而NMR数据与所有集合体的形成都一致。使用PM6半经验分子轨道方法研究了所有菱形树枝状大分子的形状和大小。还研究了它们的主要光化学性质。