11-[[4-(Dimethylamino)phenyl]methylidene]-3,6,9,13,16,19-hexaoxa-25-azabicyclo[19.3.1]pentacosa-1(25),21,23-triene-2,10,12,20-tetrone | 571148-95-3

• 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: 11-[[4-(Dimethylamino)phenyl]methylidene]-3,6,9,13,16,19-hexaoxa-25-azabicyclo[19.3.1]pentacosa-1(25),21,23-triene-2,10,12,20-tetrone
• CAS: 571148-95-3
• 化学式: C₂₇H₃₀N₂O₁₀
• 分子量: 542.543
• InChiKey: YYYDGEVNAUXZKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  39
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  对二甲氨基苯甲醛 、 3,6,9,13,16,19-Hexaoxa-25-aza-bicyclo[19.3.1]pentacosa-1(24),21(25),22-triene-2,10,12,20-tetraone 在 哌啶乙酸盐 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以60%的产率得到11-[[4-(Dimethylamino)phenyl]methylidene]-3,6,9,13,16,19-hexaoxa-25-azabicyclo[19.3.1]pentacosa-1(25),21,23-triene-2,10,12,20-tetrone
  参考文献：
  名称：

  Dynamic switching between binding sites in the complexation of macrocyclic ‘push–pull’ chromophores to lanthanides

  摘要：

  The introduction of a 1,3-diacetylpyridine moiety, as an additional binding niche in a macrocyclic receptor ligand containing a conjugated, push-pull malonate functionality, leads to, in addition to the 1:1 binding stoichiometry, the equilibrium formation of multiple complexes, specifically 1:2, 2:1, and 3:1 ligand:metal complexes with lanthanide trications. Various binding modes elicit distinctive responses in the visible region, which enhance the potential recognition of lanthanide ions. This paper also highlights the usefulness of a full factor analysis in the elucidation of complex binding phenomena. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.024