5,11,17,23-tetra(butylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17,23-tetra(butylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
• 英文别名: 5,11,17,23-Tetrakis(butylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol；5,11,17,23-tetrakis(butylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
• 化学式: C₅₂H₇₆N₄O₈
• 分子量: 885.197
• InChiKey: DWUFKYKLTIDIKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  64
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  210
• 氢给体数：
  12
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4-nitrophenyl bis(chloromethyl)phosphinate 、 5,11,17,23-tetra(butylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol 以 水 、 异丙醇 为溶剂， 生成 4-硝基苯酚阴离子 、
  参考文献：
  名称：

  摘要：

  The electrochemical oxidation of a number of aminomethylated calix[4]resorcinarenes (AMC) with different substituents at the nitrogen atom and the kinetics of nucleophilic substitution reactions of these compounds with p-nitrophenyl bis(chloromethyl)phosphinate were studied. The reactivity of the ionic associates of AMC in the nucleophilic substitution and the behavior of AMC in electrooxidation are determined by the same factors, namely, the amino-roup basicity and the nature of the substituents at the nitrogen atom. These factors influence the ratio of the zwitter-ionic and anionic forms of AMC.

  DOI：

  10.1023/a:1024713408780

文献信息

• ——
  作者：V. V. Yanilkin、I. S. Ryzhkina、N. V. Nastapova、T. N. Pashirova、Ya. A. Babkina、A. R. Burilov、V. I. Morozov、A. I. Konovalov

  DOI：10.1023/a:1024713408780

  日期：——

  The electrochemical oxidation of a number of aminomethylated calix[4]resorcinarenes (AMC) with different substituents at the nitrogen atom and the kinetics of nucleophilic substitution reactions of these compounds with p-nitrophenyl bis(chloromethyl)phosphinate were studied. The reactivity of the ionic associates of AMC in the nucleophilic substitution and the behavior of AMC in electrooxidation are determined by the same factors, namely, the amino-roup basicity and the nature of the substituents at the nitrogen atom. These factors influence the ratio of the zwitter-ionic and anionic forms of AMC.