[Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane)2Cl]BPh4 | 1017592-02-7

• 英文名称: [Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane)2Cl]BPh4
• CAS: 1017592-02-7
• 化学式: C₂₂H₃₈ClN₆P₂Ru*C₂₄H₂₀B
• 分子量: 904.288
• InChiKey: KYBKPCTVHVDCIO-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  [Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane)2Cl]BPh4 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 生成 [Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane)2Cl]BF4
  参考文献：
  名称：

  PGSE NMR Studies on RAPTA Derivatives: Evidence for the Formation of H-Bonded Dicationic Species

  摘要：

  The self-aggregation tendency of RAPTA complexes {[Ru(eta(6)-p-cymene){PTA(-R)}Cl-2]X, R = H (1BPh(4) and 1PF(6)) and Me (2BPh(4) and 2OTf), and [Ru(eta(6)-p-cymene)(PTA)(2)Cl]X (3BPh(4) and 3BF(4))} in acetone-d(6) was investigated by means of diffusion NMR spectroscopy. On increasing the concentration, the protonated species (1X) undergoes intercationic self-aggregation driven by hydrogen bonding that leads to the formation of 1(2)(2+) dications and a small amount of 1(2)X(+) ion triples.

  DOI：

  10.1021/om701131s
• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 四苯硼钠 、 1,3,5-三氮杂-7-磷杂金刚烷 以 甲醇 为溶剂， 以85%的产率得到[Ru(η6-p-cymene)(1,3,5-triaza-7-phosphaadamantane)2Cl]BPh4
  参考文献：
  名称：

  PGSE NMR Studies on RAPTA Derivatives: Evidence for the Formation of H-Bonded Dicationic Species

  摘要：

  The self-aggregation tendency of RAPTA complexes {[Ru(eta(6)-p-cymene){PTA(-R)}Cl-2]X, R = H (1BPh(4) and 1PF(6)) and Me (2BPh(4) and 2OTf), and [Ru(eta(6)-p-cymene)(PTA)(2)Cl]X (3BPh(4) and 3BF(4))} in acetone-d(6) was investigated by means of diffusion NMR spectroscopy. On increasing the concentration, the protonated species (1X) undergoes intercationic self-aggregation driven by hydrogen bonding that leads to the formation of 1(2)(2+) dications and a small amount of 1(2)X(+) ion triples.

  DOI：

  10.1021/om701131s