25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2S,10S-bis(hydroxymethyl)]crown-5 | 271789-26-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2S,10S-bis(hydroxymethyl)]crown-5
• CAS: 271789-26-5
• 化学式: C₅₆H₇₈O₉
• 分子量: 895.23
• InChiKey: LICSMGYPDRWUQS-CRKOEVGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.11
• 重原子数：
  65.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  105.07
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  6-(溴甲基)-2,2'-联吡啶 、 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2S,10S-bis(hydroxymethyl)]crown-5 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.25h， 生成 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2S,10S-bis(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
• 作为产物：
  描述：

  2S,10S-Bis(allyloxymethyl)-1,11-bis(tosyloxy)-3,6,9-trioxaundecane 在 palladium on activated charcoal caesium carbonate 、 对甲苯磺酸 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 90.0h， 生成 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2S,10S-bis(hydroxymethyl)]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