[Ru(BH(3,5-dimethyl-4-bromo-pyrazol-1-yl)3)(3,5-dimethyl-4-bromo-pyrazole-1-yl)(3,5-dimethyl4-bromo-pyrazol-1-ylH)(benzonitrile)] | 878496-21-0

• 英文名称: [Ru(BH(3,5-dimethyl-4-bromo-pyrazol-1-yl)3)(3,5-dimethyl-4-bromo-pyrazole-1-yl)(3,5-dimethyl4-bromo-pyrazol-1-ylH)(benzonitrile)]
• 英文别名: [Ru(BH(3,5-Me2-4-Brpz)3)(3,5-Me2-4-Brpz)(3,5-Me2-4-BrpzH)(PhCN)]
• CAS: 878496-21-0
• 化学式: C₃₂H₃₇BBr₅N₁₁Ru
• 分子量: 1087.12
• InChiKey: NSXXEWZYOOBJBL-UHFFFAOYSA-N

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：

  trans-{RuCl2(C6H5CN)4} 、 potassium hydrotris(4-bromo-3,5-dimethylpyrazol-1-yl)borate 以 苯 为溶剂， 以2%的产率得到[Ru(BH(3,5-dimethyl-4-bromo-pyrazol-1-yl)3)(3,5-dimethyl-4-bromo-pyrazole-1-yl)(3,5-dimethyl4-bromo-pyrazol-1-ylH)2]
  参考文献：
  名称：

  Syntheses and characterization of new (pyrazolato)(pyrazole) rutheniums with κ3-polypyrazolylborates: Halogeno-anion binding through the tris(pyrazole) moiety

  摘要：

  (Polypyrazolylborato)(benzonitrile) ruthenium(II) complexes [RuCl{BR(pz)(3)}(PhCN)(2)] (R = pz, H; pz = pyrazol-1-yl), prepared from trans-[RuCl2(PhCN)(4)] and K[BR(pz)(3)], were allowed to react with potassium 3,5-dimethyl-substituted polypyrazolylborate salt K[BH(3,5-Me(2)pz)(3)], and gave (pyrazolato)(pyrazole) species of [Ru{BR(pz)(3)) (3,5-Me(2)pz)(3,5-Me(2)pzH)(2)] [R = pz (1), H (2)}, respectively. Upon protonation with HBF4 (Et2O), the species 1 was converted to a fairly stable tris(pyrazole) derivative [Ru{B(pz)(4)}(3,5-Me(2)pzH)(3)]BF4 (3), which worked as a novel halogeno-anion receptor. Moreover, the complex [RuCl2(PhCN)(4)] was treated with K[BH(3,5-Me-2-4-BrPZ)(3)] in the presence of 3,5-dimethyl-4-bromopyrazole, 3,5-Me-2-4-BrpzH, to afford [Ru{BH(3,5-Me-2-4-Brpz)(3)}(3,5-Me-2-4-Brpz)(3,5-Me2-4-BrpzH)(2)] and [Ru{BH(3,5-Me-2-4-Brpz)(3)}(3,5-Me-2-4-Brpz)(3,5-Me-2-4-BrpzH)(PhCN)]. Single-crystal X-ray structural analyses were carried out for 1, 3 center dot CHCl3, [Ru[B(pz)(4)}(3,5-Me(2)PzH)(2)(OH2)]O3SC6H4CH3 center dot CH3OH, and [RuCl{B(pz)(4))(3,5-Me(2)pzH)(2)]center dot CHCl3. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.08.005