11-N,17-N-diphenyl-14-[2-(phenylcarbamoylamino)ethyl]-3,25-dioxa-11,14,17,31-tetrazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,19,21,23,27,29-nonaene-11,17-dicarboxamide | 1359182-78-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11-N,17-N-diphenyl-14-[2-(phenylcarbamoylamino)ethyl]-3,25-dioxa-11,14,17,31-tetrazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,19,21,23,27,29-nonaene-11,17-dicarboxamide
• CAS: 1359182-78-7
• 化学式: C₄₈H₅₀N₈O₅
• 分子量: 818.976
• InChiKey: RWPFQFBLYZURKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  11-N,17-N-diphenyl-14-[2-(phenylcarbamoylamino)ethyl]-3,25-dioxa-11,14,17,31-tetrazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,19,21,23,27,29-nonaene-11,17-dicarboxamide 、 nickel(II) perchlorate 以 乙醇 为溶剂， 生成
  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：

  2,6-Bis(2-formylphenoxymethyl)pyridine 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 11-N,17-N-diphenyl-14-[2-(phenylcarbamoylamino)ethyl]-3,25-dioxa-11,14,17,31-tetrazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,19,21,23,27,29-nonaene-11,17-dicarboxamide
  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

文献信息

• Novel emissive phenylurea-based macrocyclic chemosensor: Synthesis, fluorescent and complexation studies
  作者：Cristina Núñez、Anxela Aldrey、Verónica García、Rufina Bastida、Alejandro Macías、Carlos Lodeiro

  DOI：10.1016/j.ica.2011.05.031

  日期：2012.2

  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.