carbon monoxide;[2-[[1-di(propan-2-yl)phosphanylpyrrol-2-yl]methyl]pyrrol-1-yl]-di(propan-2-yl)phosphane;ruthenium(2+);chloride | 915358-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: carbon monoxide;[2-[[1-di(propan-2-yl)phosphanylpyrrol-2-yl]methyl]pyrrol-1-yl]-di(propan-2-yl)phosphane;ruthenium(2+);chloride
• CAS: 915358-64-4
• 化学式: C₂₃H₃₅ClN₂O₂P₂Ru
• 分子量: 570.014
• InChiKey: YWZZLKCEIIMLEF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  11.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 一氧化碳 以 氘代苯 为溶剂， 生成 carbon monoxide;[2-[[1-di(propan-2-yl)phosphanylpyrrol-2-yl]methyl]pyrrol-1-yl]-di(propan-2-yl)phosphane;ruthenium(2+);chloride 、 carbon monoxide;[2-[[1-di(propan-2-yl)phosphanylpyrrol-2-yl]methyl]pyrrol-1-yl]-di(propan-2-yl)phosphane;ruthenium(2+);chloride
  参考文献：
  名称：

  Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety

  摘要：

  Ru complexes of a new neutral PCP pincer ligand containing a central carbene ligand have been prepared (referred to as (P2C=) for emphasis). The ligand precursor P2CH2 can be prepared in good yield in two steps from pyrrole, formaldehyde, and chlorodiisopropylphosphine. The reaction between P2CH2 and [(p-cymene)RuCl2](2) in the presence of Et3N cleanly furnishes (P2C=) RuHCl. The latter possesses a Y-shaped five-coordinate geometry about Ru, as determined in an X-ray diffraction study. Reactions of (P2C=) RuHCl with a series of potential ligands have been examined. Addition of pyridine, MeCN, or ethylene leads to a simple adduct formation and addition of CO leads to coordination of two CO ligands to Ru with concomitant hydride-to-carbene migration, while addition of PMe3 gives rise to both types of products. (P2C=) RuHCl is a moderately active precatalyst for transfer hydrogenation of ketones. Addition of phenylacetylene leads to the insertion of the triple bond into Ru-H to give (P2C=)Ru(-CPh=CH2)Cl. (P2C=) RuHCl can be converted to (P2C=) RuCl2 by action of an iminium chloride reagent. (P2C=) RuCl2 adds one molecule of CO with retention of the carbene moiety, even at elevated temperatures. These results demonstrate the potential of (P2C=) as a robust and electronically distinctive ancillary ligand.

  DOI：

  10.1021/om060464r