4-t-Butyl-2,6-bis-(5-t-butyl-2-hydroxy-3-hydroxymethyl-benzyloxymethyl)-phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-t-Butyl-2,6-bis-(5-t-butyl-2-hydroxy-3-hydroxymethyl-benzyloxymethyl)-phenol
• 英文别名: 4-tert-butyl-2-[[5-tert-butyl-3-[[5-tert-butyl-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methoxymethyl]-6-(hydroxymethyl)phenol
• 化学式: C₃₆H₅₀O₇
• 分子量: 594.789
• InChiKey: JJUDFVQSAQQZIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  120
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-叔-丁基-2,6-二(羟基甲基)苯酚 以 邻二甲苯 为溶剂， 生成 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 、 bis(5-tert-butyl-2-hydroxy-3-hydroxymethyl-phenyl)methane 、 4-叔丁基杯[6]芳烃 、 4-t-Butyl-2,6-bis-(5-t-butyl-2-hydroxy-3-hydroxymethyl-benzyloxymethyl)-phenol
  参考文献：
  名称：

  Acid-Catalyzed Formation of Hexahomooxacalix[3]arenes

  摘要：

  The role of acid catalysis in oxacalix[3]arene synthesis has been investigated, A range of acids were used to optimize the yield of tert-butyloxacalix[3]arene, the most efficient being p-toluenesulfonic acid, which, with local symmetry complementary with that of the lower rim of the calixarene, provides a templating effect.

  DOI：

  10.1021/jo025597a

文献信息

• Acid-Catalyzed Formation of Hexahomooxacalix[3]arenes
  作者：Mijan Miah、Nikolai N. Romanov、Peter J. Cragg

  DOI：10.1021/jo025597a

  日期：2002.5.1

  The role of acid catalysis in oxacalix[3]arene synthesis has been investigated, A range of acids were used to optimize the yield of tert-butyloxacalix[3]arene, the most efficient being p-toluenesulfonic acid, which, with local symmetry complementary with that of the lower rim of the calixarene, provides a templating effect.