5-methyl-2-(piperidin-1-yl)-4-(pyren-1-yl)-benzonitrile | 1330065-80-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 5-methyl-2-(piperidin-1-yl)-4-(pyren-1-yl)-benzonitrile
• 英文别名: 5-Methyl-2-piperidin-1-yl-4-pyren-1-ylbenzonitrile
• CAS: 1330065-80-9
• 化学式: C₂₉H₂₄N₂
• 分子量: 400.523
• InChiKey: QMESQGMEYNHEJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-(1-pyrenyl)-2-oxo-4-piperidin-1-yl-2H-pyran-3-carbonitrile 、 丙醛 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以74%的产率得到5-methyl-2-(piperidin-1-yl)-4-(pyren-1-yl)-benzonitrile
  参考文献：
  名称：

  Thermally Stable Nonaggregating Pyrenylarenes for Blue Organic Light-Emitting DevicesCDRI communication No. 8097.

  摘要：

  A new series of thermally stable blue light-emitting nonplanar pyrenylarenes having an amine donor and a nitrile acceptor group was prepared from a ketene-S,S-acetal under conventional heating and/or microwave irradiation. The photophysical, electrochemical, and optical behavior of donor acceptor pyrenylarenes are demonstrated. The performance of blue light-emitting pyrenylarenes was investigated by fabricating a multilayer device with the device configuration of ITO/PEDOT:PSS (40 nm)/NPB (30 nm)/pyrenylarene (55 nm)/BCP (8 nm)/LiF (0.6 nm)/Al (200 nm), which exhibited low turn-on voltage (5 V) with luminance efficiency of 0.8 Cd/A with nonaggregation behavior in both solution and solid state.

  DOI：

  10.1021/jo2011768