[Ru(CCSiMe3)(η6-4-methylisopropylbenzene)(1,10-phenanthroline)](B(3,5-bis(trifluoromethyl)phenyl)4) | 350983-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Ru(CCSiMe3)(η6-4-methylisopropylbenzene)(1,10-phenanthroline)](B(3,5-bis(trifluoromethyl)phenyl)4)
• 英文别名: ethynyl(trimethyl)silane;1-methyl-4-propan-2-ylbenzene;1,10-phenanthroline;ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• CAS: 350983-10-7
• 化学式: C₂₇H₃₁N₂RuSi*C₃₂H₁₂BF₂₄
• 分子量: 1375.93
• InChiKey: IWYSCYFZQSGYIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.57
• 重原子数：
  88
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  28

反应信息

• 作为产物：
  描述：

  [Ru(triflato)(η6-4-methylisopropylbenzene)(1,10-phenanthroline)](B(3,5-bis(trifluoromethyl)phenyl)4) 、 三甲基乙炔基硅 在 CH₃(CH₂)3Li 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以82%的产率得到[Ru(CCSiMe3)(η6-4-methylisopropylbenzene)(1,10-phenanthroline)](B(3,5-bis(trifluoromethyl)phenyl)4)
  参考文献：
  名称：

  New Types of (Arene)ruthenium Alkynyl Complexes

  摘要：

  The reaction of [{RuCl(cym)}(2)(mu -Cl)(2)] (cym eta (6)-4-methylisopropylbenzene) with 1,10-phenanthroline and NaBAr'(4) (Ar' = 3,5-bis(trifluoromethyl)phenyl), followed by addition of excess sodium acetylide, yielded the complex [Ru(CCH)(cym)(phen)]BAr'(4) (1), the first cationic (arene)ruthenium alkynyl. Similar [Ru(CCPh)(cym)(phen)]BAr'(4) (2) and [Ru(CCSiMe3)(cym)(phen)]BAr'(4) (3) complexes were prepared in an analogous manner from the corresponding lithium acetylides and in situ generated ruthenium triflate precursors. Protonation of 1 with HOTf afforded the acyl complex [Ru(C(O)CH3)(cym)(phen)]BAr'(4) (4), presumably by reaction of an initially formed dicationic vinylidene with adventitious water. The reaction of [RuCl2-(cym)(PMe3)] with excess LiCCPh afforded the complex [Ru(CCPh)(2)(cym)(PMe3)] (5), the first (arene)ruthenium bis(acetylide) complex. All new compounds were characterized by IR and NMR, and the crystal structures of 1, 4, and 5 were determined by X-ray diffraction.

  DOI：

  10.1021/om000834q