(2R,4R,6S,8S)-2,4,6,8-tetrakis(4-methoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,15,16,34,35,36,54,55,56,74,75,76-dodecaol | 1027361-68-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (2R,4R,6S,8S)-2,4,6,8-tetrakis(4-methoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,15,16,34,35,36,54,55,56,74,75,76-dodecaol
• CAS: 1027361-68-7
• 化学式: C₅₆H₄₈O₁₆
• 分子量: 976.988
• InChiKey: RSGNVUNNPJLELU-RYGLZEDRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.22
• 重原子数：
  72.0
• 可旋转键数：
  8.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  279.68
• 氢给体数：
  12.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (2R,4R,6S,8S)-2,4,6,8-tetrakis(4-methoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,15,16,34,35,36,54,55,56,74,75,76-dodecaol 、 乙酸酐 在 吡啶 作用下， 反应 8.0h， 以87.9%的产率得到
  参考文献：
  名称：

  Microwave irradiation assisted synthesis, alkylation reaction, and configuration analysis of aryl pyrogallol[4]arenes

  摘要：

  A series of aryl pyrogallol[4] arenes were efficiently synthesized in excellent yields by cyclocondensation of pyrogallol with aromatic aldehydes under microwave irradiation. The structures of aryl pyrogallol[4] arenes were confirmed by characterization of their acylated derivatives. Under microwave irradiation, alkylation reactions of aryl pyrogallol[4] arenes with some alkylating reagents such as n-butyl iodide, benzyl chloride, and ethyl alpha-chloroacetate were also finished quickly to yield fully O-alkylated products. The H-1 NMR spectra and crystal structures showed that the acylated and alkylated aryl pyrogallol[4] arenes existed mainly in rctt (cis-trans-trans) configuration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.043
• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 邻苯三酚 在 盐酸 作用下， 以 乙二醇乙醚 为溶剂， 反应 0.03h， 生成 (2R,4R,6S,8S)-2,4,6,8-tetrakis(4-methoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,15,16,34,35,36,54,55,56,74,75,76-dodecaol
  参考文献：
  名称：

  Microwave irradiation assisted synthesis, alkylation reaction, and configuration analysis of aryl pyrogallol[4]arenes

  摘要：

  A series of aryl pyrogallol[4] arenes were efficiently synthesized in excellent yields by cyclocondensation of pyrogallol with aromatic aldehydes under microwave irradiation. The structures of aryl pyrogallol[4] arenes were confirmed by characterization of their acylated derivatives. Under microwave irradiation, alkylation reactions of aryl pyrogallol[4] arenes with some alkylating reagents such as n-butyl iodide, benzyl chloride, and ethyl alpha-chloroacetate were also finished quickly to yield fully O-alkylated products. The H-1 NMR spectra and crystal structures showed that the acylated and alkylated aryl pyrogallol[4] arenes existed mainly in rctt (cis-trans-trans) configuration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.043