tris(4-[2,2′,6′,2″-terpyridyl]benzyl)cyclotriguaiacylene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tris(4-[2,2′,6′,2″-terpyridyl]benzyl)cyclotriguaiacylene
• 英文别名: tris(2,2',6',2''-terpyridylbenzyl)cyclotriguaiacylene；4-[4-[[12,19-Bis[[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]phenyl]-2,6-dipyridin-2-ylpyridine
• 化学式: C₉₀H₆₉N₉O₆
• 分子量: 1372.59
• InChiKey: KBYYMHSTOUFGPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  105
• 可旋转键数：
  21
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  171
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  五羰基溴铼(I) 、 tris(4-[2,2′,6′,2″-terpyridyl]benzyl)cyclotriguaiacylene 以 甲苯 为溶剂， 反应 24.0h， 以95%的产率得到[(Re(Br)(CO)₃)₃(tris(4-[2,2′,6′,2″-terpyridyl]benzyl)cyclotriguaiacylene)]
  参考文献：
  名称：

  Tris(rhenium fac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission

  摘要：

  Trinuclear rhenium fac-tricarbonyl bromide complexes have been synthesized coordinated to the host ligands tris(4- [4-methyl-2,2'-bipyridyl]methyl)cyclotriguaiacylene (L1), tris(4-[4-methyl-2,2'-bipyridoy1])cyclotriguaiacylene (L2), and tris(4-[2,2',6',2 ''-terpyridyllbenzyl)cydotriguaiacylene (L3). The structure of L1 and complexes [{Re(CO)(3)Br}(3)(L1)] (1) and [{Re(CO)(3)Br}(3)(L3)] (3) have been elucidated through X-ray single-crystal diffraction, with complex 3 crystallizing as a conglomerate. The steady-state luminescent properties and time-resolved fluorescence studies of the complexes have been conducted and revealed an unusual dual-emission phenomenon for complex 2. Complexes 1 and 2 show red-shifted emission wavelengths in comparison with those typical of monometallic Re(CO)(3)-bipy-Br complexes, while complex 3 showed an unusual excitation-dependent variation of emission wavelength.

  DOI：

  10.1021/acs.organomet.6b00099
• 作为产物：
  描述：

  4'-[4-(溴甲基)苯基]-2,2':6',2''-三联吡啶 、 cyclotriguaiacyclene 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 48.5h， 以80%的产率得到tris(4-[2,2′,6′,2″-terpyridyl]benzyl)cyclotriguaiacylene
  参考文献：
  名称：

  基于环三ver四烯的配位网络的构建基块。

  摘要：

  将三重对称有机主体分子掺入配位聚合物中应允许构建新的有趣的网络结构，并具有多重包容性。通过将含氮杂环附加到环三甲苯或环三瓜二烯核上，制备了一系列新的多齿桥连配体/分子主体。这些化合物可通过一步反应从容易获得的前体中以中等到良好的产率获得，并通过NMR光谱，质谱和元素分析相结合进行表征。X射线晶体学表征了其中的两种新化合物，揭示了不同的自包含行为，这表明CTV衍生物稳定小π供体在客体-客体化学中的潜在重要性。

  DOI：

  10.1039/b407165d

文献信息

• Tris(rhenium <i>fac</i>-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission
  作者：Flora L. Thorp-Greenwood、Victoria E. Pritchard、Michael P. Coogan、Michaele J. Hardie

  DOI：10.1021/acs.organomet.6b00099

  日期：2016.6.13

  Trinuclear rhenium fac-tricarbonyl bromide complexes have been synthesized coordinated to the host ligands tris(4- [4-methyl-2,2'-bipyridyl]methyl)cyclotriguaiacylene (L1), tris(4-[4-methyl-2,2'-bipyridoy1])cyclotriguaiacylene (L2), and tris(4-[2,2',6',2 ''-terpyridyllbenzyl)cydotriguaiacylene (L3). The structure of L1 and complexes [Re(CO)(3)Br}(3)(L1)] (1) and [Re(CO)(3)Br}(3)(L3)] (3) have been elucidated through X-ray single-crystal diffraction, with complex 3 crystallizing as a conglomerate. The steady-state luminescent properties and time-resolved fluorescence studies of the complexes have been conducted and revealed an unusual dual-emission phenomenon for complex 2. Complexes 1 and 2 show red-shifted emission wavelengths in comparison with those typical of monometallic Re(CO)(3)-bipy-Br complexes, while complex 3 showed an unusual excitation-dependent variation of emission wavelength.
• Building blocks for cyclotriveratrylene-based coordination networks
  作者：Michaele J. Hardie、Rachael M. Mills、Christopher J. Sumby

  DOI：10.1039/b407165d

  日期：——

  symmetric organic host molecules into coordination polymers should allow for the construction of new and interesting network structures, capable of multiple inclusion behaviour. A range of new multi-dentate bridging ligands/molecular hosts have been prepared by appending nitrogen-containing heterocycles to either cyclotricatechylene, or cyclotriguaiacylene cores. These compounds were obtained in a single-step

  将三重对称有机主体分子掺入配位聚合物中应允许构建新的有趣的网络结构，并具有多重包容性。通过将含氮杂环附加到环三甲苯或环三瓜二烯核上，制备了一系列新的多齿桥连配体/分子主体。这些化合物可通过一步反应从容易获得的前体中以中等到良好的产率获得，并通过NMR光谱，质谱和元素分析相结合进行表征。X射线晶体学表征了其中的两种新化合物，揭示了不同的自包含行为，这表明CTV衍生物稳定小π供体在客体-客体化学中的潜在重要性。