[Ru(η6-(p-cymene))Cl2(κ1-N-(rac)-phenylglycine methylester)] | 870894-65-8

• 英文名称: [Ru(η6-(p-cymene))Cl2(κ1-N-(rac)-phenylglycine methylester)]
• CAS: 870894-65-8
• 化学式: C₁₉H₂₅Cl₂NO₂Ru
• 分子量: 471.389
• InChiKey: OXPUGCHPGWPFLU-HPQOONHBSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 D-苯甘氨酸甲酯盐酸盐 在 t-C₄H₉OK 作用下， 以 甲醇 、 二氯甲烷 、 正戊烷 为溶剂， 以78%的产率得到[Ru(η6-(p-cymene))Cl2(κ1-N-(rac)-phenylglycine methylester)]
  参考文献：
  名称：

  Inverted piano-stool dimers of half-sandwich Ru(II) complexes with (R)-phenylglycine methylester and (S)-phenylalanineamide: An X-ray structural study and preliminary catalytic results

  摘要：

  The two new complexes [Ru(eta(6)-p-cymene)(kappa(1)-N-(rac)-phenylglycine methylester)Cl-2] (1) and [RU(eta(6)-p-cymene)(kappa(2)-N,N'-(S)-phenylalanineamido)Cl] (2) have been synthesized by reacting [Ru(p-cymene)Cl-2](2) with the HCl-free corresponding ligands. The complexes have been fully characterized by spectroscopic and analytical methods, and their solid structures have been determined by single crystal X-ray analysis. Both complexes have a pseudo-tetrahedral geometry: in 1 ruthenium is bound to the nitrogen, to the eta(6)-coordinated p-cymene molecule and to two chloride ligands. In 2 the ligand has lost an amide proton binding ruthenium in a N,N' bidentate fashion, the coordination geometry being completed by a eta(6)-coordinated p-cymene molecule and a chloride ligand. The X-ray structure of I has revealed the racemization of the ligand, while in 2 the ligand has retained its configuration but, interestingly, the two diasteromers RRuSC and SRuSC have co-crystallized in the same single crystal. The crystal architecture of 2 is characterized by the presence of two opposite helices of akin diastereoisomers, connected through strong intermolecular hydrogen bonds between the amine and carbonyl groups. ESI-MS of an i-PrOH solution of 2 points out that the dimers are maintained also in solution. Complex 2 is an active catalyst for the homogeneous transfer hydrogenation of acetophenone and cyclohexanone in an i-PrOH/t-BuOK mixture, with TOFs up to 800 and 1000 h(-1), respectively. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.07.028