[RuCl(CO)2(1,8-bis(diisopropylphosphino)triptycene(-1H))] | 1196104-63-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [RuCl(CO)2(1,8-bis(diisopropylphosphino)triptycene(-1H))]
• CAS: 1196104-63-8
• 化学式: C₃₄H₃₉ClO₂P₂Ru
• 分子量: 678.153
• InChiKey: VLPCFMQSQIIQIZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,8-bis(diisopropylphosphino)triptycene 、 水合三氯化钌 、 N,N-二甲基甲酰胺 以 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到[RuCl(CO)2(1,8-bis(diisopropylphosphino)triptycene(-1H))]
  参考文献：
  名称：

  New Shapes of PC(sp³)P Pincer Complexes

  摘要：

  Trans-chelating bis(diisopropylphosphino)triptycene (1) was employed as a platform for the construction of a new class of C(sp(3))-metalated pincer complexes via C-H activation. We synthesized and fully characterized platinum(II), ruthenium(II), and iridium(III) compounds hearing this tridentate ligand. In contrast to the known all-aliphatic C(sp(3))-metalated compounds, the new complexes exhibit excellent thermal and conformational stability even under very harsh and noninert conditions, likely due to the lack of labile alpha- or beta-hydrogens. In addition, the three-dimensional barrelene-based scaffold represents a unique structural motif for the design of PC(sp(3))P-based compounds with unexplored steric and electronic features.

  DOI：

  10.1021/om900723s