4-dimethoxyborylbenzo-18-crown-6 ether

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-dimethoxyborylbenzo-18-crown-6 ether
• 英文别名: 2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl(dimethoxy)borane
• 化学式: C₁₈H₂₉BO₈
• 分子量: 384.234
• InChiKey: BFKZPZRQIGWTMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.51
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(6-bromopyridin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine 、 4-dimethoxyborylbenzo-18-crown-6 ether 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 1-[6-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)pyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
  参考文献：
  名称：

  Synthesis of a dinucleating ligand with addressed ion binding sites

  摘要：

  A ligand was synthesized that contains two binding sites, differentiated on the basis of size and donor atom. The binding profile for a series of amino acid guests suggest that the two binding sites are 6.5 Angstrom apart. Kinetic studies of hydrolysis of a model phosphodiester substrate by heterodinuclear complexes of the ligand suggest that one metal ion delivers a hydroxide nucleophile and the other increases substrate binding although not in the ideal geometry. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00937-4
• 作为产物：
  描述：

  硼酸三甲酯 、 4'-溴苯-18-冠六醚 生成 4-dimethoxyborylbenzo-18-crown-6 ether
  参考文献：
  名称：

  Synthesis of a dinucleating ligand with addressed ion binding sites

  摘要：

  A ligand was synthesized that contains two binding sites, differentiated on the basis of size and donor atom. The binding profile for a series of amino acid guests suggest that the two binding sites are 6.5 Angstrom apart. Kinetic studies of hydrolysis of a model phosphodiester substrate by heterodinuclear complexes of the ligand suggest that one metal ion delivers a hydroxide nucleophile and the other increases substrate binding although not in the ideal geometry. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00937-4

文献信息

• Metal-Atom Impact on the Self-Assembly of Cup-and-Ball Metalloporphyrin-Fullerene Conjugates
  作者：Luis Moreira、Joaquín Calbo、Beatriz M. Illescas、Juan Aragó、Iwona Nierengarten、Béatrice Delavaux-Nicot、Enrique Ortí、Nazario Martín、Jean-François Nierengarten

  DOI：10.1002/anie.201409487

  日期：2015.1.19

  A fullerene ammonium derivative has been combined with different metalloporphyrin–crown ether receptors to generate very stable supramolecules. The combination of fullerene–porphyrin and ammonium–crown ether interactions leads to a strong chelate effect as evidenced by a high effective molarity (3.16 M). The different parameters influencing the stability of the supramolecular ensembles, in particular

  富勒烯铵衍生物已与不同的金属卟啉-冠醚受体结合形成了非常稳定的超分子。富勒烯–卟啉和铵–冠醚相互作用的结合产生了很强的螯合作用，如高有效摩尔浓度（3.16 M）所证明的 。借助理论计算已经合理化了影响超分子团簇稳定性的不同参数，特别是卟啉部分中金属的性质，从而为富勒烯与卟啉的相互作用提供了新的见解。