1,3-bis(2-chloroethoxy)-2-(2-chloroethoxymethyl)-2-methylpropane | 197975-61-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-bis(2-chloroethoxy)-2-(2-chloroethoxymethyl)-2-methylpropane
• CAS: 197975-61-4
• 化学式: C₁₁H₂₁Cl₃O₃
• 分子量: 307.645
• InChiKey: KZIIGLXRQBERIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  17.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,3-bis(2-chloroethoxy)-2-(2-chloroethoxymethyl)-2-methylpropane 在 双氧水 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Mills, Jerry L.; Harwell, David E.; Marquis, Virginia K. De, Phosphorus, Sulfur and Silicon and the Related Elements, 1994, vol. 87, # 1-4, p. 149 - 156

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1,1-三(羟甲基)乙烷 在 lithium aluminium tetrahydride 、 氯化亚砜 、 potassium tert-butylate 、 氢气 作用下， 以 四氢呋喃 、 吡啶 、 氯仿 、 叔丁醇 为溶剂， 反应 48.0h， 生成 1,3-bis(2-chloroethoxy)-2-(2-chloroethoxymethyl)-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+