| 929915-22-0

• CAS: 929915-22-0
• 化学式: C₂₁H₁₄ClFeHgNO
• 分子量: 588.238
• InChiKey: NUMNXOQYBMGWCN-UHFFFAOYSA-M

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：

  、 mercury(II) diacetate 、 lithium chloride 以 甲醇 、 二氯甲烷 为溶剂， 以16%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of a new 2-ferrocenylnaphthoxazole and its mercurated derivatives

  摘要：

  A new ferrocenylnaphthoxazole [(eta(5)-C5H5)Fe{(eta(5)-C5H4)C(O)=N(C10H6)}] (1) was synthesized under mild conditions. Two mercurated derivatives: ortho-mercurated product [HgCl{(eta(5)-C5H5)Fe[(eta(5)-C5H3)C(O)=N(ClOH6)]]] (2) and the product mercurated on the unsubstituted Cp ring [HgCl{(eta(5)-C5H4)Fe[(eta(5)-C5H4)C(O)=N(C10H6)]}] (3) were obtained by the reaction of I with mercuric acetate. All the new compounds 1, 2 and 3 were characterized by elemental analyses, IR, NMR, MS spectra and X-ray crystal structure analysis. The crystal structure of I extended into a 2D supramolecular network through the intermolecular pi-pi stacking interaction between the Cp ring and naphthoxazole ring. In the crystal of 2, there exist bridged Cl-Hg bonds, CH(Cp)Cl-... and (CHHg)-Hg-... hydrogen bonds, pi-pi stacking interactions, which facilitate construction of this complex into a 3D supramolecular structure. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.10.070