N-[2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-ylamino)ethyl]acetamide | 1415966-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-[2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-ylamino)ethyl]acetamide
• CAS: 1415966-38-9
• 化学式: C₂₃H₂₁N₃O₃
• 分子量: 387.438
• InChiKey: IIBCBNAQAMBWGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.51
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-ylamino)ethyl]acetamide 在 氢溴酸 作用下， 以 乙醇 、 水 、 异丙醇 为溶剂， 反应 4.0h， 生成 6-{2-[(anthracen-9-ylmethylene)amino]ethylamino}-2-benzyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  New chemosensor systems of the benzo-[de]Isoquinoline-1,3-Dione Series

  摘要：

  New derivatives of the benzo[de]isoquinoline-1,3-dione system containing an amino group were synthesized by the reaction of 2-benzyl-6-bromobenzo[de]isoquinoline-1,3-dione with ethylenediamine and hydrazine. Further functionalization of the free amino groups leads to imines, amines, thioureas, and hydrazones. Some compounds exhibit high chemosensor selectivity in the determination of anions.

  DOI：

  10.1007/s10593-012-1140-x
• 作为产物：
  描述：

  N-乙酰基乙二胺 、 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione 以 乙醇 为溶剂， 反应 20.0h， 以60%的产率得到N-[2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-ylamino)ethyl]acetamide
  参考文献：
  名称：

  New chemosensor systems of the benzo-[de]Isoquinoline-1,3-Dione Series

  摘要：

  New derivatives of the benzo[de]isoquinoline-1,3-dione system containing an amino group were synthesized by the reaction of 2-benzyl-6-bromobenzo[de]isoquinoline-1,3-dione with ethylenediamine and hydrazine. Further functionalization of the free amino groups leads to imines, amines, thioureas, and hydrazones. Some compounds exhibit high chemosensor selectivity in the determination of anions.

  DOI：

  10.1007/s10593-012-1140-x