(1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-8-[[4-[[(1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene | 608517-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-8-[[4-[[(1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
• CAS: 608517-37-9
• 化学式: C₅₆H₅₄N₄O₂
• 分子量: 815.07
• InChiKey: VCUCBBAOFFBYFI-WNTLKJHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  62
• 可旋转键数：
  10
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  70
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  六氟磷酸银 、 (1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-8-[[4-[[(1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene 以 氯仿 、 乙腈 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Complexation behaviour of chiral tetradentate polypyridines derived from α-pinene

  摘要：

  A series of ligands, where two pinene-bipyridine moieties are either connected directly, or through a p-xylene bridge are investigated with respect to their complexation behaviour in solution. The bridged [5,6]-CHIRAGEN[p-xyl] ligands, which are substituted in 5' or 6' positions show self-assembly reactions, which lead to similar supramolecular species as the unsubstituted bis-pinene-bipyridines ligands studied before. The directly connected [5,6]-CHIRAGEN[0] derivatives, which are substituted at positions 5' or 6', form mononuclear complexes with helical chirality at the metal centre. (C) 2004 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2004.07.028
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 、 (1R,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene 在 正丁基锂 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.0h， 以64%的产率得到(1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-8-[[4-[[(1R,8S,9R)-5-[5-(4-methoxyphenyl)pyridin-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
  参考文献：
  名称：

  含有吡啶环的手性四齿配体新家族的合成途径。

  摘要：

  由5'-和6'-取代的手性联吡啶或由手性吡啶衍生物合成了一系列含有两个联吡啶基团或两个带有胺取代基的吡啶部分的新四齿配体。这些前体分别由（-）-α-pine烯或（-）-myrtenal制备。通过X射线衍射测定了三个四齿-和五个手性联吡啶配体的结构。

  DOI：

  10.1039/b210625f

文献信息

• Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings
  作者：Mathias Düggeli、Catherine Goujon-Ginglinger、Sarah Richard Ducotterd、David Mauron、Christophe Bonte、Alexander von Zelewsky、Helen Stoeckli-Evans、Antonia Neels

  DOI：10.1039/b210625f

  日期：——

  A series of new tetradentate ligands containing two bipyridine groups or two pyridine moieties carrying amine substituents has been synthesised either from 5'- and 6'-substituted chiral bipyridines, or from chiral pyridine derivatives. These precursors have been prepared from (-)-alpha-pinene or (-)-myrtenal, respectively. The structures of three tetradentate-, and of five chiral bipyridine ligands

  由5'-和6'-取代的手性联吡啶或由手性吡啶衍生物合成了一系列含有两个联吡啶基团或两个带有胺取代基的吡啶部分的新四齿配体。这些前体分别由（-）-α-pine烯或（-）-myrtenal制备。通过X射线衍射测定了三个四齿-和五个手性联吡啶配体的结构。
• Complexation behaviour of chiral tetradentate polypyridines derived from α-pinene
  作者：Mathias Düggeli、Christophe Bonte、Alexander Von Zelewsky

  DOI：10.1016/j.ica.2004.07.028

  日期：2005.1

  A series of ligands, where two pinene-bipyridine moieties are either connected directly, or through a p-xylene bridge are investigated with respect to their complexation behaviour in solution. The bridged [5,6]-CHIRAGEN[p-xyl] ligands, which are substituted in 5' or 6' positions show self-assembly reactions, which lead to similar supramolecular species as the unsubstituted bis-pinene-bipyridines ligands studied before. The directly connected [5,6]-CHIRAGEN[0] derivatives, which are substituted at positions 5' or 6', form mononuclear complexes with helical chirality at the metal centre. (C) 2004 Published by Elsevier B.V.