2-(7,8,10,11,19,20-hexahydro-9H-dibenzo[e,p][1,4]dioxa[8,11,14]triazacycloheptadecin-9-yl)ethan-1-amine | 1126974-58-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(7,8,10,11,19,20-hexahydro-9H-dibenzo[e,p][1,4]dioxa[8,11,14]triazacycloheptadecin-9-yl)ethan-1-amine
• CAS: 1126974-58-0
• 化学式: C₂₂H₂₈N₄O₂
• 分子量: 380.49
• InChiKey: PRQBNQDJFXQPAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.44
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(7,8,10,11,19,20-hexahydro-9H-dibenzo[e,p][1,4]dioxa[8,11,14]triazacycloheptadecin-9-yl)ethan-1-amine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 2-(2,5-Dioxa-13,16,19-triazatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaen-16-yl)ethanamine
  参考文献：
  名称：

  Novel emissive phenylurea-based macrocyclic chemosensor: Synthesis, fluorescent and complexation studies

  摘要：

  A new emissive macrocycle ligand bearing three phenylurea groups (L-1) has been synthesized and fully characterised. Several mononuclear complexes with nitrate, perchlorate and tetrafluoroborate salts of transition and post-transition metals (Cu2+, Ni2+, Co2+, Zn2+ and Cd2+) were synthesized and characterized. For comparative purposes, the coordination ability of two nonfluorescent macrocyclic ligands (L-2 and L-3) containing three nitrophenylurea pendant-arms towards the same metal ions were studied. The interaction with transition and post-transition metal ions, and anions was explored in solution by UV-Vis and emission spectroscopy with ligand L-1. All new compounds were characterised by microanalysis, IR, UV-Vis and fluorescence emission, FAB and ESI mass spectrometry and conductivity measurements. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.05.031
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 以 甲醇 为溶剂， 生成 2-(7,8,10,11,19,20-hexahydro-9H-dibenzo[e,p][1,4]dioxa[8,11,14]triazacycloheptadecin-9-yl)ethan-1-amine
  参考文献：
  名称：

  Novel emissive phenylurea-based macrocyclic chemosensor: Synthesis, fluorescent and complexation studies

  摘要：

  A new emissive macrocycle ligand bearing three phenylurea groups (L-1) has been synthesized and fully characterised. Several mononuclear complexes with nitrate, perchlorate and tetrafluoroborate salts of transition and post-transition metals (Cu2+, Ni2+, Co2+, Zn2+ and Cd2+) were synthesized and characterized. For comparative purposes, the coordination ability of two nonfluorescent macrocyclic ligands (L-2 and L-3) containing three nitrophenylurea pendant-arms towards the same metal ions were studied. The interaction with transition and post-transition metal ions, and anions was explored in solution by UV-Vis and emission spectroscopy with ligand L-1. All new compounds were characterised by microanalysis, IR, UV-Vis and fluorescence emission, FAB and ESI mass spectrometry and conductivity measurements. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.05.031