11,12,30,31-Tetramethoxy-2,2,21,21-tetramethyl-8,15,27,34,39,40,41,42-octazaheptacyclo[34.2.1.13,6.117,20.122,25.09,14.028,33]dotetraconta-1(38),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32,34,36-octadecaene | 646069-94-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,12,30,31-Tetramethoxy-2,2,21,21-tetramethyl-8,15,27,34,39,40,41,42-octazaheptacyclo[34.2.1.13,6.117,20.122,25.09,14.028,33]dotetraconta-1(38),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32,34,36-octadecaene
• CAS: 646069-94-5
• 化学式: C₄₂H₄₄N₈O₄
• 分子量: 724.863
• InChiKey: BSVUFSSHJJJGRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  54
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [Cd2(tetrahydrofuran)5](BF4)4 、 11,12,30,31-Tetramethoxy-2,2,21,21-tetramethyl-8,15,27,34,39,40,41,42-octazaheptacyclo[34.2.1.13,6.117,20.122,25.09,14.028,33]dotetraconta-1(38),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32,34,36-octadecaene 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Binuclear Fluoro-Bridged Zinc and Cadmium Complexes of a Schiff Base Expanded Porphyrin:  Fluoride Abstraction from the Tetrafluoroborate Anion

  摘要：

  Reactions of the Schiff base oligopyrrolic octaazamacrocycle 1 with BF4- salts of divalent zinc and cadmium result in fluoride anion abstraction and the formation of difluoride-bridged metal complexes. X-ray diffraction analyses provide support for the notion that hydrogen-bonding interactions, involving the N-H groups of the macrocycle and the coordinated fluoride ions, play an important role in stabilizing these new complexes.

  DOI：

  10.1021/ic700933p

文献信息

• Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes
  作者：Jacqueline M. Veauthier、Won-Seob Cho、Vincent M. Lynch、Jonathan L. Sessler

  DOI：10.1021/ic0352001

  日期：2004.2.1

  New bimetallic mu-oxo diferric complexes of several previously reported calix[4]pyrrole Schiff base macrocycles are described. The synthesis of a new member of this class of macrocycles is also reported; it was prepared via an acid-catalyzed condensation between 1,9-bisformyl-5,5-dipropyldipyrromethane and o-phenylenediamine. Reactions of the free base macrocycles or their bis-HCl salts with Fe(II)

  描述了几个先前报道的杯[4]吡咯席夫碱大环的新的双金属的mu-oxo二铁配合物。还报道了这类大环化合物的新成员的合成。它是通过1,9-双甲酰基-5,5-二丙基二吡咯甲烷与邻苯二胺之间的酸催化缩合反应制得的。游离碱大环或其双HCl盐与Fe（II）均三甲苯的反应，然后进行空气氧化，以中等收率得到双核mu-oxo bis-Fe（III）化合物6-10。X射线晶体学数据揭示了6-10中Fe-O-Fe亚基的两个不同配位环境，建议可以通过改变反应条件来控制。还比较了这些金属化的吡咯大环化合物与mu-oxo二铁卟啉和mu-oxo二铁texaphyrin的结构性能。配合物6-10表现出两种不同类型的MN键，其长度与在金属硫卟啉配合物中观察到的键相似。然而，本系统的电子学与特沙弗林和卟啉的电子学非常不同，因为在整个配体中没有观察到离域的键合模式。
• Binuclear Fluoro-Bridged Zinc and Cadmium Complexes of a Schiff Base Expanded Porphyrin:  Fluoride Abstraction from the Tetrafluoroborate Anion
  作者：Elisa Tomat、Luciano Cuesta、Vincent M. Lynch、Jonathan L. Sessler

  DOI：10.1021/ic700933p

  日期：2007.8.1

  Reactions of the Schiff base oligopyrrolic octaazamacrocycle 1 with BF4- salts of divalent zinc and cadmium result in fluoride anion abstraction and the formation of difluoride-bridged metal complexes. X-ray diffraction analyses provide support for the notion that hydrogen-bonding interactions, involving the N-H groups of the macrocycle and the coordinated fluoride ions, play an important role in stabilizing these new complexes.