(1R,8S,9R)-8-[[5-[[(1R,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]naphthalen-1-yl]methyl]-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene | 250774-81-3

• 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)-8-[[5-[[(1R,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]naphthalen-1-yl]methyl]-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
• CAS: 250774-81-3
• 化学式: C₄₆H₄₄N₄
• 分子量: 652.882
• InChiKey: SBEZFZHMTSHNHS-AEKIIXOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  50
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 silver trifluoromethanesulfonate 、 (1R,8S,9R)-8-[[5-[[(1R,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]naphthalen-1-yl]methyl]-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene 以 甲醇 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Stereoselective Synthesis of Coordination Compounds: Self-Assembly of a Polymeric Double Helix with Controlled Chirality

  摘要：

  Its information content is infinitely smaller than that of DNA, but its structure (see picture) ressembles the double-stranded helix produced by nature. This self-assembled, configurationally predetermined coordination polymer is built up from enantiopure chiral bipyridine-type ligands and silver ions.

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2945::aid-anie2945>3.0.co;2-d
• 作为产物：
  描述：

  1,5-双(溴甲基)萘 、 (+)-5,6-pinene-bipyridine 在 lithium diisopropyl amide 作用下， 以57%的产率得到(1R,8S,9R)-8-[[5-[[(1R,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]methyl]naphthalen-1-yl]methyl]-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
  参考文献：
  名称：

  Stereoselective Synthesis of Coordination Compounds: Self-Assembly of a Polymeric Double Helix with Controlled Chirality

  摘要：

  Its information content is infinitely smaller than that of DNA, but its structure (see picture) ressembles the double-stranded helix produced by nature. This self-assembled, configurationally predetermined coordination polymer is built up from enantiopure chiral bipyridine-type ligands and silver ions.

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2945::aid-anie2945>3.0.co;2-d