2,2',2''-((((2-methylpropane-1,2,3-triyl)tris(oxy))tris(ethane-2,1-diyl))tris(oxy))tris(tetrahydro-2H-pyran) | 163770-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2,2',2''-((((2-methylpropane-1,2,3-triyl)tris(oxy))tris(ethane-2,1-diyl))tris(oxy))tris(tetrahydro-2H-pyran)
• CAS: 163770-55-6
• 化学式: C₂₅H₄₆O₉
• 分子量: 490.635
• InChiKey: MNAUJGQASFSBSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.42
• 重原子数：
  34.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  83.07
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2,2',2''-((((2-methylpropane-1,2,3-triyl)tris(oxy))tris(ethane-2,1-diyl))tris(oxy))tris(tetrahydro-2H-pyran) 在 氢气 作用下， 生成 2-[2-(2-Hydroxy-ethoxy)-1-(2-hydroxy-ethoxymethyl)-1-methyl-ethoxy]-ethanol
  参考文献：
  名称：

  用于碱金属阳离子络合的新型 C-Pivot 三极配体

  摘要：

  新制备了一系列含有 2-甲基甘油单元的 C-pivot 三极配体，并通过溶剂萃取法和紫外光谱检测了它们对碱金属阳离子的络合性能。与衍生自三羟甲基乙烷的其他类型的三极配体相比，这些类型的化合物具有更高的可萃取性。这一发现清楚地表明，正确选择基本骨架结构对于 C-pivot 三极配体的分子设计很重要。

  DOI：

  10.1246/cl.1995.51
• 作为产物：
  描述：

  1,8-dihydroxy-4-bromomethyl-4-methyl-3,6-dioxaoctane 在 18-冠醚-6 、 potassium tert-butylate 、 氢气 作用下， 生成 2,2',2''-((((2-methylpropane-1,2,3-triyl)tris(oxy))tris(ethane-2,1-diyl))tris(oxy))tris(tetrahydro-2H-pyran)
  参考文献：
  名称：

  Molecular Design of C-Pivot Tripodal Ligands:  Importance of the Glycerol Structure for Effective Complexation toward Alkali Metal Cations

  摘要：

  A new series of C-pivot tripodal ligands 1-4 containing a 2-methylglycerol unit were prepared and their complexation properties toward alkali metal cations were examined by measuring the extractability, stability constant in THF, characteristic absorption in the UV spectrum, change in the chemical shia in the H-1 NMR, and competitive passive transport. This type of compound (1-4) was found to possess excellent complexing ability and higher selectivity than another type of tripodal Ligand 5 derived from tris(hydroxymethyl)ethane. This remarkable difference in the stability constants was reasonably explained by considering that the former takes a three-dimensional coordination toward alkali metal cations by cooperatively using the three electron-donating arms but the latter does not. This finding clearly shows that a proper selection of the structure of the basic skeleton is important for the molecular design of C-pivot tripodal ligands.

  DOI：

  10.1021/jo971078+