dimethyl 2,2'-((2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)azanediyl)diacetate | 1335150-64-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dimethyl 2,2'-((2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)azanediyl)diacetate
• CAS: 1335150-64-5
• 化学式: C₂₅H₂₉N₃O₆
• 分子量: 467.522
• InChiKey: MFPBNKSEDBJRPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  96.46
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  dimethyl 2,2'-((2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)azanediyl)diacetate 在 potassium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 12.0h， 以83%的产率得到2,2'-((2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)azanediyl)diacetic acid
  参考文献：
  名称：

  A water-soluble 1,8-naphthalimide-based ‘turn on’ fluorescent chemosensor for selective and sensitive recognition of mercury ion in water

  摘要：

  A water-soluble 1,8-naphthalimide-based fluorescent chemosensor 1, bearing two acetic carboxylic moieties, exhibited high selectivity and sensitivity for recognition of Hg2+ ion in water over other heavy and transition metal (HTM) ions with fluorescent enhancement. An increase in the fluorescent intensity at 562 nm was due to the formation of a 1:1 1-Hg2+ inclusion complex. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.085
• 作为产物：
  描述：

  哌啶 在 potassium dihydrogenphosphate 、 potassium iodide 作用下， 以 乙醇 、 甲乙醚 、 乙腈 为溶剂， 反应 34.0h， 生成 dimethyl 2,2'-((2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)azanediyl)diacetate
  参考文献：
  名称：

  A water-soluble 1,8-naphthalimide-based ‘turn on’ fluorescent chemosensor for selective and sensitive recognition of mercury ion in water

  摘要：

  A water-soluble 1,8-naphthalimide-based fluorescent chemosensor 1, bearing two acetic carboxylic moieties, exhibited high selectivity and sensitivity for recognition of Hg2+ ion in water over other heavy and transition metal (HTM) ions with fluorescent enhancement. An increase in the fluorescent intensity at 562 nm was due to the formation of a 1:1 1-Hg2+ inclusion complex. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.085