5,15-di(1-adamantyl)-10,10,20,20-tetramethylcalix[4]pyrrole | 1138770-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 5,15-di(1-adamantyl)-10,10,20,20-tetramethylcalix[4]pyrrole
• 英文别名: 5,15-Bis(1-adamantyl)-10,10,20,20-tetramethyl-5,15,21,22,23,24-hexahydroporphyrin；5,15-bis(1-adamantyl)-10,10,20,20-tetramethyl-5,15,21,22,23,24-hexahydroporphyrin
• CAS: 1138770-88-3
• 化学式: C₄₄H₅₆N₄
• 分子量: 640.955
• InChiKey: SRVBOASACOKSDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  48
• 可旋转键数：
  2
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  63.2
• 氢给体数：
  4
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-di(pyrrole-2-yl)methyladamantane 、 丙酮 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以19%的产率得到5,15-di(1-adamantyl)-10,10,20,20-tetramethylcalix[4]pyrrole
  参考文献：
  名称：

  Synthesis, structural characterization, and anion binding ability of sterically congested adamantane-calix[4]pyrroles and adamantane-calixphyrins

  摘要：

  Novel adamantane derivatives of calix[4]pyrroles 4-8 and calixphyrin 9 have been synthesized. The structure of 8 has been characterized by X-ray powder diffraction and the structure of 9 by single crystal X-ray analysis. Whereas calixphyrin 9 does not bind anions, analogous calyx[4]pyrrole 8 forms a complex with Cl in the DMSO Solution and in the solid state. The solid state complexation has been accomplished on grinding in a mill, which is the first example of complex formation with an anion in the solid state. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.007

文献信息

• Synthesis, structural characterization, and anion binding ability of sterically congested adamantane-calix[4]pyrroles and adamantane-calixphyrins
  作者：Marija Alešković、Ivan Halasz、Nikola Basarić、Kata Mlinarić-Majerski

  DOI：10.1016/j.tet.2009.01.007

  日期：2009.3

  Novel adamantane derivatives of calix[4]pyrroles 4-8 and calixphyrin 9 have been synthesized. The structure of 8 has been characterized by X-ray powder diffraction and the structure of 9 by single crystal X-ray analysis. Whereas calixphyrin 9 does not bind anions, analogous calyx[4]pyrrole 8 forms a complex with Cl in the DMSO Solution and in the solid state. The solid state complexation has been accomplished on grinding in a mill, which is the first example of complex formation with an anion in the solid state. (C) 2009 Elsevier Ltd. All rights reserved.