25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2-(2,2'-bipyridine-6-methyl)oxy-methyl]crown-5

• 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: 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2-(2,2'-bipyridine-6-methyl)oxy-methyl]crown-5
• 英文别名: 2-Pyridin-2-yl-6-[(19,25,31,36-tetratert-butyl-40,41-dimethoxy-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaen-5-yl)methoxymethyl]pyridine；2-pyridin-2-yl-6-[(19,25,31,36-tetratert-butyl-40,41-dimethoxy-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaen-5-yl)methoxymethyl]pyridine
• 化学式: C₆₆H₈₄N₂O₈
• 分子量: 1033.4
• InChiKey: HNKVYYSEZORMIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.6
• 重原子数：
  76
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  99.6
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  三乙二醇 在 palladium on activated charcoal 盐酸 、 甲醇 、 4-二甲氨基吡啶 、 sodium hydride 、 caesium carbonate 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 152.75h， 生成 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2-(2,2'-bipyridine-6-methyl)oxy-methyl]crown-5
  参考文献：
  名称：

  2,2′-Bipyridine Lariat Calixcrowns: A New Class of Encapsulating Ligands Forming Highly Luminescent Eu3+ and Tb3+ Complexes

  摘要：

  A new class of calix[4]arene crown ethers with one or two bipyridines appended to the polyether ring (lariat calixcrowns) have been designed and synthesized; the luminescence properties of their Eu3+ and Tb3- complexes have been studied in acetonitrile. In this solvent, long lifetimes for the metal emitting states and high metal-luminescence intensities obtained upon ligand excitation have been observed in both Eu3+ and Tb3+ complexes The association constants in methanol have been determined for some of the complexes studied.

  DOI：

  10.1002/(sici)1521-3765(20000317)6:6<1026::aid-chem1026>3.0.co;2-c

文献信息

• 2,2′-Bipyridine Lariat Calixcrowns: A New Class of Encapsulating Ligands Forming Highly Luminescent Eu3+ and Tb3+ Complexes
  作者：Claudia Fischer、Gianluca Sarti、Alessandro Casnati、Barbara Carrettoni、Ilse Manet、Ruud Schuurman、Massimo Guardigli、Nanda Sabbatini、Rocco Ungaro

  DOI：10.1002/(sici)1521-3765(20000317)6:6<1026::aid-chem1026>3.0.co;2-c

  日期：2000.3.17

  A new class of calix[4]arene crown ethers with one or two bipyridines appended to the polyether ring (lariat calixcrowns) have been designed and synthesized; the luminescence properties of their Eu3+ and Tb3- complexes have been studied in acetonitrile. In this solvent, long lifetimes for the metal emitting states and high metal-luminescence intensities obtained upon ligand excitation have been observed in both Eu3+ and Tb3+ complexes The association constants in methanol have been determined for some of the complexes studied.