6-(2-methoxyethoxymethoxy)spiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile | 921625-52-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-(2-methoxyethoxymethoxy)spiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile
• CAS: 921625-52-7
• 化学式: C₃₀H₂₃N₃O₃
• 分子量: 473.531
• InChiKey: TVZQIKLQUKFTLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.51
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-(2-methoxyethoxymethoxy)spiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以26%的产率得到6-hydroxyspiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile
  参考文献：
  名称：

  All-Photonic Molecular Half-Adder

  摘要：

  One molecule acts as both an AND and an XOR Boolean logic gate that share the same two photonic inputs. The molecule comprises a half-adder, adding two binary digits with only light as inputs and outputs, and consists of three covalently linked photochromic moieties, a spiropyran and two quinolinederived dihydroindolizines. The AND function is based on the absorption properties of the molecule, whereas the XOR function is based on an off-on-off response of the fluorescence to the inputs that results from interchromophore excited-state quenching interactions. The half-adder is simple to operate and can be cycled many times.

  DOI：

  10.1021/ja0654579
• 作为产物：
  描述：

  6-羟基喹啉 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.25h， 生成 6-(2-methoxyethoxymethoxy)spiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile
  参考文献：
  名称：

  All-Photonic Molecular Half-Adder

  摘要：

  One molecule acts as both an AND and an XOR Boolean logic gate that share the same two photonic inputs. The molecule comprises a half-adder, adding two binary digits with only light as inputs and outputs, and consists of three covalently linked photochromic moieties, a spiropyran and two quinolinederived dihydroindolizines. The AND function is based on the absorption properties of the molecule, whereas the XOR function is based on an off-on-off response of the fluorescence to the inputs that results from interchromophore excited-state quenching interactions. The half-adder is simple to operate and can be cycled many times.

  DOI：

  10.1021/ja0654579