1-(4-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)-[4,4'-bipyridin]-1-ium bromide | 1352931-17-9

• 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: 1-(4-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)-[4,4'-bipyridin]-1-ium bromide
• CAS: 1352931-17-9
• 化学式: Br*C₃₁H₃₁N₄O₂
• 分子量: 571.517
• InChiKey: RICFBVVFVQCLBC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  57.39
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(4-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)-[4,4'-bipyridin]-1-ium bromide 、 碘甲烷 以 乙腈 为溶剂， 反应 24.0h， 以70.9%的产率得到Br^(1-)*C₃₂H₃₄N₄O₂⁽²⁺⁾*I^(1-)
  参考文献：
  名称：

  Selective supramolecular bindings for stepwise signal output

  摘要：

  The design and construction of functional supramolecular systems capable of digital information processing is very important. In this work, we synthesized two fluorescent guest compounds (OVN and MVN) for supramolecular bindings at different sites with cucurbit[7]uril (CB7) and alpha-cyclodextrin (alpha-CD). The selective host guest formation was employed to control the systems' fluorescent signal for different-mode performances. The structural characterizations were conducted by H-1 NMR, HRMS, and 2D NOESY H-1 NMR spectroscopy. Specifically, the selective supramolecular bindings of CB7 and alpha-CD will cause a stepwise variation of the fluorescent signal output in OVN guest system. This signal can also be stepwise reset by introduction of different competing substances. On the other hand, supramolecular bindings can only lead to a binary signal change in MVN guest system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.079
• 作为产物：
  描述：

  4-(N-piperidinyl)naphthalene-1,8-dicarboximide 在 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 73.0h， 生成 1-(4-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)-[4,4'-bipyridin]-1-ium bromide
  参考文献：
  名称：

  Selective supramolecular bindings for stepwise signal output

  摘要：

  The design and construction of functional supramolecular systems capable of digital information processing is very important. In this work, we synthesized two fluorescent guest compounds (OVN and MVN) for supramolecular bindings at different sites with cucurbit[7]uril (CB7) and alpha-cyclodextrin (alpha-CD). The selective host guest formation was employed to control the systems' fluorescent signal for different-mode performances. The structural characterizations were conducted by H-1 NMR, HRMS, and 2D NOESY H-1 NMR spectroscopy. Specifically, the selective supramolecular bindings of CB7 and alpha-CD will cause a stepwise variation of the fluorescent signal output in OVN guest system. This signal can also be stepwise reset by introduction of different competing substances. On the other hand, supramolecular bindings can only lead to a binary signal change in MVN guest system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.079