2-[2-[2-[1-Bromo-2-methyl-3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]propan-2-yl]oxyethoxy]ethoxy]oxane | 1025983-27-0

• 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-[1-Bromo-2-methyl-3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]propan-2-yl]oxyethoxy]ethoxy]oxane
• CAS: 1025983-27-0
• 化学式: C₂₂H₄₁BrO₈
• 分子量: 513.467
• InChiKey: YPENAVUGLWWVPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  31
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  2-[2-[2-[1-Bromo-2-methyl-3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]propan-2-yl]oxyethoxy]ethoxy]oxane 在 氯化亚砜 、 18-冠醚-6 、 potassium tert-butylate 、 氢气 作用下， 以 吡啶 、 氯仿 为溶剂， 反应 48.0h， 生成 1,2,3-Tris[2-(2-chloroethoxy)ethoxy]-2-methylpropane
  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+
• 作为产物：
  描述：

  2-[2-(2-Methylprop-2-enoxy)ethoxy]ethanol 在 N-溴代丁二酰亚胺(NBS) 、 氢气 作用下， 反应 20.0h， 生成 2-[2-[2-[1-Bromo-2-methyl-3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]propan-2-yl]oxyethoxy]ethoxy]oxane
  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+

文献信息

• Molecular Design of C-Pivot Tripodal Ligands:  Importance of the Glycerol Structure for Effective Complexation toward Alkali Metal Cations
  作者：Kohji Kita、Toshiyuki Kida、Yohji Nakatsuji、Isao Ikeda

  DOI：10.1021/jo971078+

  日期：1997.11.1

  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.