Dioctyl 26,29,32,35,40,43,46,49-octaoxa-8,15-diazaoctacyclo[48.2.2.222,25.02,7.06,10.09,14.013,17.016,21]hexapentaconta-1(52),2,4,6,9,11,13,16,18,20,22(56),23,25(55),50,53-pentadecaene-4,19-dicarboxylate | 1242104-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Dioctyl 26,29,32,35,40,43,46,49-octaoxa-8,15-diazaoctacyclo[48.2.2.222,25.02,7.06,10.09,14.013,17.016,21]hexapentaconta-1(52),2,4,6,9,11,13,16,18,20,22(56),23,25(55),50,53-pentadecaene-4,19-dicarboxylate
• 英文别名: dioctyl 26,29,32,35,40,43,46,49-octaoxa-8,15-diazaoctacyclo[48.2.2.222,25.02,7.06,10.09,14.013,17.016,21]hexapentaconta-1(52),2,4,6,9,11,13,16,18,20,22(56),23,25(55),50,53-pentadecaene-4,19-dicarboxylate
• CAS: 1242104-00-2
• 化学式: C₆₄H₈₂N₂O₁₂
• 分子量: 1071.36
• InChiKey: BNOAWIZQYCOSIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  78
• 可旋转键数：
  18
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  158
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  Dioctyl 1,10-bis[4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]phenyl]-11,12-dihydroindolo[2,3-a]carbazole-3,8-dicarboxylate 在 Grubbs catalyst first generation 、 四丁基氯化铵 、 1% Pd/C 、 氢气 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 Dioctyl 26,29,32,35,40,43,46,49-octaoxa-8,15-diazaoctacyclo[48.2.2.222,25.02,7.06,10.09,14.013,17.016,21]hexapentaconta-1(52),2,4,6,9,11,13,16,18,20,22(56),23,25(55),50,53-pentadecaene-4,19-dicarboxylate
  参考文献：
  名称：

  A catenated anion receptor based on indolocarbazole

  摘要：

  A catenated anion receptor 7 comprising two indolocarbazole units was prepared by olefin ring-closing metathesis using Grubbs' catalyst. Receptor 7 possesses a cage-like cavity where anions are encapsulated by forming four hydrogen bonds in the order of Cl(-) > AcO(-) > N(3)(-) > H(2)PO(4)(-) > Br(-) > HSO(4)(-) > I(-) approximate to NO(3)(-) in 1% H(2)O/acetone. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.023

文献信息

• A catenated anion receptor based on indolocarbazole
  作者：Min Kyung Chae、Jae-min Suk、Kyu-Sung Jeong

  DOI：10.1016/j.tetlet.2010.06.023

  日期：2010.8

  A catenated anion receptor 7 comprising two indolocarbazole units was prepared by olefin ring-closing metathesis using Grubbs' catalyst. Receptor 7 possesses a cage-like cavity where anions are encapsulated by forming four hydrogen bonds in the order of Cl(-) > AcO(-) > N(3)(-) > H(2)PO(4)(-) > Br(-) > HSO(4)(-) > I(-) approximate to NO(3)(-) in 1% H(2)O/acetone. (C) 2010 Elsevier Ltd. All rights reserved.