| 1428963-79-4

• CAS: 1428963-79-4
• 化学式: C₅₆H₄₃NO₃P₂Ru
• 分子量: 940.98
• InChiKey: LIEQIFMPFVGIBK-VHRJBDHUSA-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：

  二氯二羰基双(三苯基膦)钌 、 Methyl 4-(naphthalen-1-yliminomethyl)benzoate 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以80%的产率得到
  参考文献：
  名称：

  A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes

  摘要：

  To study steric and electronic factors that affect the C-H activation of Schiff bases by the complex [Ru(PPh3)(2)(CO)(2)Cl-2], systematic spectroscopic analyses were performed for a family of Ru(II) complexes of type [Ru(PPh3)(2)(CO)L]. Among eight Schiff bases [H(2)Ln (n = 1-8)], synthesized by condensation of methyl-4-formyl benzoate with 4-aminoacetophenone, 1-naphthylamine, 2-amino-5-chloropyridine, 8-aminoquinoline, semicarbazide hydrochloride, 2-aminophenol, thiosemicarbazide and 2-aminothiophenol, it was observed that the C-H activation was dependent on the kind as well as the position of the coordinating atoms. The C-H activation of the Schiff bases was most facile in the formation of a Ru-CNO configuration followed by Ru-CNS, Ru-CNN, and Ru-CNC configurations, whereas for a Ru-NC(methine) configuration the activation was the slowest. X-ray crystal structures for five cycloruthenated complexes are reported. Detailed electrochemical studies reveals the redox behavior of the complexes and DFT calculations were performed to obtain geometry optimized structure of all other complexes and to get an insight of the electronic spectral behavior. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.011