| 161503-60-2

• CAS: 161503-60-2
• 化学式: Br₃*C₂₀H₃₀BrRu
• 分子量: 691.144
• InChiKey: SUSWQJVAVRWZSE-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

• 作为产物：
  描述：

  bis(pentamethylcyclopentadienyl)ruthenium(II) 、 氢溴酸 、 溴 以 水 、 甲苯 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  New Ruthenium(IV) Complexes via Oxidative Cp-Ru Bond Rupture and Methyl Activation in Decamethylruthenocene

  摘要：

  The two-phase reaction of decamethylruthenocene (Cp*Ru-2) in toluene with Br-2 in weak aqueous acids (HF or CH3COOH) led to a mixture of [Cp*2RuBr]Br-3 ([1]Br-3) and [CP*(C-5(CH3)(4)(CH2OH))RUBr]Br-3 ([2]Br-3), as confirmed by H-1 NMR and elemental analysis. Recrystallization of this mixture from acetonitrile/ether at -4 degrees C gave a mixture of [1]Br and [2]Br. A second crop of crystals also contained salts of the Ru(IV) anions [Cp*RuBr4](-) ([3](-)) and [(C-5(CH3)4(CH2OH))RuBr4](-) ([4](-)). X-ray crystallographic analysis of a selected crystal confirmed the presence of the salt [1][4]. C30H45Br5ORu2 crystallizes in the triclinic space group P ($) over bar 1 (No. 2), with a = 9.598(1) Angstrom, b = 12.0786(8) Angstrom, c = 14.750(1) Angstrom, alpha = 88.380 degrees, beta = 79.977(8)degrees, gamma = 88.321(7)degrees, and Z = 2. This system exhibits both facile activation of a methyl C-H bond and a novel oxidative cleavage of the Cp*-Ru bond.

  DOI：

  10.1021/om00003a026