[(η6-p-cymene)RuCl(κ1-P-3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-yl-methyl)propan-1-ol)]Cl | 960408-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [(η6-p-cymene)RuCl(κ1-P-3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-yl-methyl)propan-1-ol)]Cl
• CAS: 960408-64-4
• 化学式: C₃₃H₃₉ClN₄OPRu*Cl
• 分子量: 710.649
• InChiKey: YTVCDYZJRZSKNH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.91
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [(η6-p-cymene)RuCl2(κ1-P-3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-yl-methyl)propan-1-ol)]*0.33CH2Cl2 以 二氯甲烷 、 乙腈 为溶剂， 以38%的产率得到[(η6-p-cymene)RuCl(κ1-P-3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-yl-methyl)propan-1-ol)]Cl
  参考文献：
  名称：

  Synthesis and structural characterization of ruthenium(II) complexes bearing phosphine-pyrazolyl based tripod ligands

  摘要：

  Phosphine-pyrazolyl based tripod ligands ROCH2C(CH(2)Pz)(2)(CH2PPh2) ( R = H, Me, allyl; Pz = pyrazol-1-yl) were e. ciently synthesized and characterized. Reactions of these ligands with [Ru(eta(6)-p-cymene)Cl-2](2) afforded complexes of the type [Ru(eta(6)-p-cymene) Cl-2](L) (6-8) in which the ligands exhibit kappa(1)-P-coordination to the metal center. Complex [Ru(eta(6)-p-cymene)Cl-2{Ph2PCH2C( CH2OH)(CH(2)Pz)(2)}] (6) underwent chloride-dissociation in CH2Cl2/MeCN to give complex [RuCl(eta(6)-p-cymene){kappa(2)(P,N)-Ph2PCH2C( CH2OH)(CH(2)Pz)(2)}][Cl] (9). Complexes 6-9 demonstrated poor to moderate catalytic activity in the transfer hydrogenation of acetophenone. All these complexes were fully characterized by analytical and spectroscopic methods and their molecular structures were determined by X-ray crystallographic study. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.08.025