25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-(2-allyloxymethyl)crown-4 | 271789-21-0

• 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-(2-allyloxymethyl)crown-4
• CAS: 271789-21-0
• 化学式: C₅₆H₇₆O₇
• 分子量: 861.215
• InChiKey: PEFYPHPQYLYBOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.95
• 重原子数：
  63.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  64.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-(2-allyloxymethyl)crown-4 在 palladium on activated charcoal sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 30.25h， 生成 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-[2-(2,2'-bipyridine-6-methyl)oxy-methyl]crown-4
  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：

  1-O-allyl-3-O-triphenylmethylglycerol 在 盐酸 、 甲醇 、 4-二甲氨基吡啶 、 sodium hydride 、 caesium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 106.5h， 生成 25,27-Dimethoxy-p-tert-butylcalix[4]arene-26,28-(2-allyloxymethyl)crown-4
  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