6-hydroxyspiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile | 921625-53-8

• 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-hydroxyspiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile
• CAS: 921625-53-8
• 化学式: C₂₆H₁₅N₃O
• 分子量: 385.425
• InChiKey: BOCBXISQTOZLDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  30.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  71.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-hydroxyspiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile 、 5-t-butoxycarbonylaminoisophthalic acid 在 N-甲基吗啉 、 3-chloro-4,6-dimethoxy-1,3,5-triazine 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 5.67h， 以46%的产率得到bis(1',2'-dicyano-3a'H-spiro[fluorene-9,3'-pyrrolo[1,2-a]quinolin]-7'-yl) 5-((tert-butoxycarbonyl)amino)isophthalate
  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-(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