3,6,14,17-Tetrakis[2-(1,3-dioxolan-2-yl)ethyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene | 1210462-51-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,6,14,17-Tetrakis[2-(1,3-dioxolan-2-yl)ethyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
• 英文别名: 3,6,14,17-tetrakis[2-(1,3-dioxolan-2-yl)ethyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
• CAS: 1210462-51-3
• 化学式: C₃₈H₅₈N₆O₈
• 分子量: 726.914
• InChiKey: XSYLLKSMFUEPKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  3,6,14,17-Tetrakis[2-(1,3-dioxolan-2-yl)ethyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene 、 copper(II) nitrate trihydrate 以 乙腈 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Synthesis of metal complexes with a novel ethyldioxolane pendant-arm hexaazamacrocyclic ligand

  摘要：

  The coordination capability of a pendant-arm azamacrocyclic ligand L with four ethyldioxolane pendant groups towards transition, post-transition and lanthanide metal ions was achieved. In all cases, complexes with a 2:1 metal:ligand molar ratio were obtained. The complexes were characterized by elemental analysis, MS-FAB, IR, conductivity measurements, H-1 and C-13 NMR spectroscopy. Crystal structures of [CoL][CoBr0.5(NO3)(3.5)] and [(H2O)H2L][Nd(NO3)(4)(H2O)(3)]NO3 center dot 3.5H(2)O have been determined. The [CoL](2+) cation contains the Co(II) ion endomacrocyclicly coordinated in a distorted octahedral geometry with a N-G core. The Nd(III) complex presents a mononuclear exomacrocyclic structure with an 11 coordination environment. pi,pi-Stacking interactions have been observed between the pyridine rings of the protonated ligand [(H2O)H2L](2+), and the [Nd(NO3)(4)(H2O)(3)](2-) anion. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.093
• 作为产物：
  描述：

  2-(2-溴乙基)-1,3-二恶烷 、 3,6,14,17,23,24-hexaazatricyclo[17.3.1.1^8,12]tetracosa-1(23),8,10,12(24),19,21-hexaene 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以65%的产率得到3,6,14,17-Tetrakis[2-(1,3-dioxolan-2-yl)ethyl]-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
  参考文献：
  名称：

  Synthesis of metal complexes with a novel ethyldioxolane pendant-arm hexaazamacrocyclic ligand

  摘要：

  The coordination capability of a pendant-arm azamacrocyclic ligand L with four ethyldioxolane pendant groups towards transition, post-transition and lanthanide metal ions was achieved. In all cases, complexes with a 2:1 metal:ligand molar ratio were obtained. The complexes were characterized by elemental analysis, MS-FAB, IR, conductivity measurements, H-1 and C-13 NMR spectroscopy. Crystal structures of [CoL][CoBr0.5(NO3)(3.5)] and [(H2O)H2L][Nd(NO3)(4)(H2O)(3)]NO3 center dot 3.5H(2)O have been determined. The [CoL](2+) cation contains the Co(II) ion endomacrocyclicly coordinated in a distorted octahedral geometry with a N-G core. The Nd(III) complex presents a mononuclear exomacrocyclic structure with an 11 coordination environment. pi,pi-Stacking interactions have been observed between the pyridine rings of the protonated ligand [(H2O)H2L](2+), and the [Nd(NO3)(4)(H2O)(3)](2-) anion. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.093