5,17-bis-<(N,N-bis<3,5-dimethylpyrazolyl>ethylamino)>methyl-11,23-di-tert-butylcalix<4>arene-25,26,27,28-tetrol | 217792-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,17-bis-<(N,N-bis<3,5-dimethylpyrazolyl>ethylamino)>methyl-11,23-di-tert-butylcalix<4>arene-25,26,27,28-tetrol
• 英文别名: 5,17-Bis[[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]methyl]-11,23-ditert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
• CAS: 217792-45-5
• 化学式: C₆₆H₈₆N₁₀O₄
• 分子量: 1083.47
• InChiKey: XELIWCLUQVDYEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  80
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-溴苯磺酰氯 、 5,17-bis-<(N,N-bis<3,5-dimethylpyrazolyl>ethylamino)>methyl-11,23-di-tert-butylcalix<4>arene-25,26,27,28-tetrol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以65%的产率得到5,17-bis-<(N,N-bis-2-(3,5-dimethylpyrazolyl)ethylamino)>methyl-11,23-di-tert-butyl-25,26,27,28-tetrakis<<(p-bromophenyl)sulfonyl>oxy>calix<4>arene
  参考文献：
  名称：

  Synthesis and Reactivity of Calix[4]arene-Based Copper Complexes¹

  摘要：

  The interaction of copper and oxygen with calix[4]arenes carrying one pr two chelating moieties on the upper rim has been investigated. The chelating moieties include pyrazolyethyl and pyridylethyl functions attached to an amino nitrogen separated from the calixarene rim by one or two methylene groups. The products obtained by treatment of the pyrazole-based calixarenes with Cu(I) and Cu(II) are stable to oxidation (by O-2) and reduction (by MeOH), respectively. Those produced by treatment of the pyridine-based calixarenes with Cu(I), however, are more reactive and undergo intramolecular oxidation at the benzylic carbon of the chelate-containing side chain. Putative pathways for the decomposition of the dicopper-dioxygen complexes are discussed.

  DOI：

  10.1021/jo981038l
• 作为产物：
  描述：

  11,23-di-tert-butylcalix<4>arene-25,26,27,28-tetrol 在 四氯化锡 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 7.5h， 生成 5,17-bis-<(N,N-bis<3,5-dimethylpyrazolyl>ethylamino)>methyl-11,23-di-tert-butylcalix<4>arene-25,26,27,28-tetrol
  参考文献：
  名称：

  Synthesis and Reactivity of Calix[4]arene-Based Copper Complexes¹

  摘要：

  The interaction of copper and oxygen with calix[4]arenes carrying one pr two chelating moieties on the upper rim has been investigated. The chelating moieties include pyrazolyethyl and pyridylethyl functions attached to an amino nitrogen separated from the calixarene rim by one or two methylene groups. The products obtained by treatment of the pyrazole-based calixarenes with Cu(I) and Cu(II) are stable to oxidation (by O-2) and reduction (by MeOH), respectively. Those produced by treatment of the pyridine-based calixarenes with Cu(I), however, are more reactive and undergo intramolecular oxidation at the benzylic carbon of the chelate-containing side chain. Putative pathways for the decomposition of the dicopper-dioxygen complexes are discussed.

  DOI：

  10.1021/jo981038l

文献信息

• Synthesis and Reactivity of Calix[4]arene-Based Copper Complexes¹
  作者：Dejian Xie、C. David Gutsche

  DOI：10.1021/jo981038l

  日期：1998.12.1

  The interaction of copper and oxygen with calix[4]arenes carrying one pr two chelating moieties on the upper rim has been investigated. The chelating moieties include pyrazolyethyl and pyridylethyl functions attached to an amino nitrogen separated from the calixarene rim by one or two methylene groups. The products obtained by treatment of the pyrazole-based calixarenes with Cu(I) and Cu(II) are stable to oxidation (by O-2) and reduction (by MeOH), respectively. Those produced by treatment of the pyridine-based calixarenes with Cu(I), however, are more reactive and undergo intramolecular oxidation at the benzylic carbon of the chelate-containing side chain. Putative pathways for the decomposition of the dicopper-dioxygen complexes are discussed.