ethyl N-[9-[12-[[2-(ethoxycarbonylamino)acridin-9-yl]amino]dodecylamino]acridin-2-yl]carbamate | 147463-60-3

• 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: ethyl N-[9-[12-[[2-(ethoxycarbonylamino)acridin-9-yl]amino]dodecylamino]acridin-2-yl]carbamate
• CAS: 147463-60-3
• 化学式: C₄₄H₅₂N₆O₄
• 分子量: 728.935
• InChiKey: XPEKSFHOFKWLMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.65
• 重原子数：
  54.0
• 可旋转键数：
  19.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  126.5
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl N-[9-[12-[[2-(ethoxycarbonylamino)acridin-9-yl]amino]dodecylamino]acridin-2-yl]carbamate 在 氢溴酸 作用下， 反应 24.0h， 以64%的产率得到9-N-[12-[(2-aminoacridin-9-yl)amino]dodecyl]acridine-2,9-diamine
  参考文献：
  名称：

  New α,ω-diamido and α,ω-diamino mono-and bi-bridged acridine dimers

  摘要：

  A novel set of dimers derived from 9-amino acridine was prepared and characterized by H-1 and C-13 NMR. These derivatives are bridged at several different positions of the heterocyclic moieties, by the way of alpha,omega-diamido or alpha,omega-diamino side-chains. Additionally the preparation of some bi-bridged compounds was achieved.

  DOI：

  10.1007/bf00808507
• 作为产物：
  描述：

  1,12-二氨基十二烷 、 9-chloro-2-urethano-acridine 以 戊醇 为溶剂， 反应 2.0h， 以79%的产率得到ethyl N-[9-[12-[[2-(ethoxycarbonylamino)acridin-9-yl]amino]dodecylamino]acridin-2-yl]carbamate
  参考文献：
  名称：

  New α,ω-diamido and α,ω-diamino mono-and bi-bridged acridine dimers

  摘要：

  A novel set of dimers derived from 9-amino acridine was prepared and characterized by H-1 and C-13 NMR. These derivatives are bridged at several different positions of the heterocyclic moieties, by the way of alpha,omega-diamido or alpha,omega-diamino side-chains. Additionally the preparation of some bi-bridged compounds was achieved.

  DOI：

  10.1007/bf00808507