| 176514-40-2

• CAS: 176514-40-2
• 化学式: C₁₈H₃₈N₂O₆*Cl₇Co₂*H₃O
• 分子量: 763.69
• InChiKey: RJSJXDCMFSAVKH-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  盐酸 、 cobalt(II) chloride hexahydrate 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Insight into the mechanism of the protonation of cryptand 222 within a liquid clathrate medium: synthesis and X-ray crystal structure of [H₃O][222–2H][(CoCl₃)₂(µ-Cl)]

  摘要：

  The reaction of CoCl2 . 6H(2)O with cryptand 222 in the presence of HCl(g) in toluene yields a two-phase liquid clathrate solution from which the complex [H3O][222-2H]-[(CoCl3)(2)(mu-Cl)] is isolated; the crystal structure exhibits an oxonium ion which is situated to one side of the [222-2H](2+) dication and interacts with two of its ethereal chains via O+-H...O hydrogen bonds which lends a measure of support for the proposed mechanism of protonation of this flexible macrobicycle.

  DOI：

  10.1039/cc9960000735