| 1389393-10-5

• CAS: 1389393-10-5
• 化学式: C₄₆H₅₄CsF₆NO₁₂S₂
• 分子量: 1123.96
• InChiKey: NYEFYAWKJDWBKM-UHFFFAOYSA-N

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：

  1,3-二丙氧基冠醚 、 1-丁基-3-甲基咪唑二(三氟甲基磺酰)酰亚胺 在 cesium chloride 作用下， 以 辛醇 、 水 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Crystallization of cesium complex containing bis(2-propyloxy)calix[4]crown-6 and bis[(trifluoromethyl)sulfonyl]imide

  摘要：

  A complex of Cs+ with the calixcrown bis(2-propyloxy)calix[4]crown-6 (BPC6) and bis[(trifluoromethyl)sulfonyl]imide (NTf2-), an anion of ionic liquid (IL), was crystallized in the interface region between n-octanol and water. The compound was characterized by single crystal X-ray diffraction, ESI-MS, FT-IR, TGA and PXRD. Cs+ is coordinated with BPC6 by both the six oxygen atoms of the crown and the cation-pi interactions, and with the anion NTf2- via one oxygen atom of the sulfonyl group. This single crystal explains the good extraction ability of BPC6 to Cs+ and reflects a coordinating interaction of NTf2- with the deficient complex [Cs center dot BPC6](+) during the extraction with an IL as diluent. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.005