5-[2-[3-[2-(2-Chloroethoxy)ethoxymethyl]phenyl]ethynyl]-11,17,23,29-tetramethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol | 848861-07-4

• 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: 5-[2-[3-[2-(2-Chloroethoxy)ethoxymethyl]phenyl]ethynyl]-11,17,23,29-tetramethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
• CAS: 848861-07-4
• 化学式: C₅₂H₅₁ClO₇
• 分子量: 823.426
• InChiKey: QZGSTCATXAAEBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  60
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  120
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-[2-[3-[2-(2-Chloroethoxy)ethoxymethyl]phenyl]ethynyl]-11,17,23,29-tetramethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Self-inclusion properties of C60-linked calix[5]arene

  摘要：

  C-60-linked calix[5]arenes were synthesized and their intramolecular binding properties were investigated. The self-inclusion ratio of the C-60 moiety was determined by using UV-vis spectroscopy, and the ratio depends on chain length, temperature, and solvent. Influence of temperature and solvent was explained by the thermodynamic data of the intramolecular complex formation process. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.035
• 作为产物：
  描述：

  5-iodo-11,17,23,29-tetramethyl-31,32,33,34,35-pentaacetoxycalix[5]arene 在 四(三苯基膦)钯 copper(l) iodide 、 potassium carbonate 、 正丁胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 5-[2-[3-[2-(2-Chloroethoxy)ethoxymethyl]phenyl]ethynyl]-11,17,23,29-tetramethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
  参考文献：
  名称：

  Self-inclusion properties of C60-linked calix[5]arene

  摘要：

  C-60-linked calix[5]arenes were synthesized and their intramolecular binding properties were investigated. The self-inclusion ratio of the C-60 moiety was determined by using UV-vis spectroscopy, and the ratio depends on chain length, temperature, and solvent. Influence of temperature and solvent was explained by the thermodynamic data of the intramolecular complex formation process. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.035