(η5-C6H4B(C6F5)2)Ti(η5-indenyl)Cl2 | 268206-23-1

• 英文名称: (η5-C6H4B(C6F5)2)Ti(η5-indenyl)Cl2
• CAS: 268206-23-1
• 化学式: C₂₆H₁₁BCl₂F₁₀Ti
• 分子量: 642.954
• InChiKey: UWTYITKOKUXGRB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 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：

  (η5-C6H4B(C6F5)2)Ti(η5-indenyl)Cl2 、 lithium tert-butylamide 以 甲苯 为溶剂， 以79%的产率得到(η5-C6H4B(C6F5)2)Ti(η5-indenyl)Cl(NHCMe3)
  参考文献：
  名称：

  Synthetic, Reactivity, and Structural Studies on Borylcyclopentadienyl Complexes of Titanium:  New Cp^B Titanocene Complexes with C−B−Cl, C−B−O, and C−B−N Bridges (Cp^B = η⁵-C₅H₄B(C₆F₅)₂)

  摘要：

  The (borylcyclopentadienyl)titanium complex (Cp-B)TiCl3 (1; Cp-B = eta(5)-C5H4B(C6F5)(2)) reacts with LiC5H5 (LiCp), LiC5H4SiMe3 (LiCP'), and LiC9H7 (LiInd) to give the titanocene complexes (Cp-B)CpTiCl2 (2), (Cp-B)Cp'TiCl2 (3), and (Cp-B)(Ind)TiCl2 (4), respectively. In contrast to 1, which possesses piano stool geometry with an uncoordinated, trigonal-planar borg moiety, the -B(C6F5)(2) substituents in 2-4 act as intramolecular Lewis acids by coordinating to chloride ligands, with formation of B-Cl-Ti bridges that have relatively short B-Cl and elongated Ti-Cl bonds. The compounds are fluxional, with the -B(C6F5)(2) moiety switching rapidly from one chloride ligand to the other (2: Delta G(double dagger) = 37 kJ mol(-1) (200 K)). Recrystallization of 2 in the presence of traces of moisture afforded (Cp-B)CpTi(mu-OH)Cl (5), with a rigid B-O-Ti chelate arrangement. Treatment of 1 with 1 or 2 equiv of LiHNCMe3 gives the binuclear titanium imido complexes [(Cp-B)TiCl(mu-NCMe3)](2) (7) and [(Cp-B)TiCl(mu-NCMe3). H2NCMe3](2) (8), respectively. These complexes are based on Ti2N2 rings but show no boron-imide interactions. In contrast, the reaction of 2 with LiNHCMe3 affords (Cp-B)CpTi(mu-NHCMe3)Cl (9), which exhibits a constrained-geometry type Cp-B-N arrangement. The crystal structures of 4, 5, 8, and 9 have been determined.

  DOI：

  10.1021/om9909744
• 作为产物：
  描述：

  indenyllithium 、 ((pentafluorophenyl)2B(cyclopentadienyl))TiCl3 以 甲苯 为溶剂， 以86%的产率得到(η5-C6H4B(C6F5)2)Ti(η5-indenyl)Cl2
  参考文献：
  名称：

  Synthetic, Reactivity, and Structural Studies on Borylcyclopentadienyl Complexes of Titanium:  New Cp^B Titanocene Complexes with C−B−Cl, C−B−O, and C−B−N Bridges (Cp^B = η⁵-C₅H₄B(C₆F₅)₂)

  摘要：

  The (borylcyclopentadienyl)titanium complex (Cp-B)TiCl3 (1; Cp-B = eta(5)-C5H4B(C6F5)(2)) reacts with LiC5H5 (LiCp), LiC5H4SiMe3 (LiCP'), and LiC9H7 (LiInd) to give the titanocene complexes (Cp-B)CpTiCl2 (2), (Cp-B)Cp'TiCl2 (3), and (Cp-B)(Ind)TiCl2 (4), respectively. In contrast to 1, which possesses piano stool geometry with an uncoordinated, trigonal-planar borg moiety, the -B(C6F5)(2) substituents in 2-4 act as intramolecular Lewis acids by coordinating to chloride ligands, with formation of B-Cl-Ti bridges that have relatively short B-Cl and elongated Ti-Cl bonds. The compounds are fluxional, with the -B(C6F5)(2) moiety switching rapidly from one chloride ligand to the other (2: Delta G(double dagger) = 37 kJ mol(-1) (200 K)). Recrystallization of 2 in the presence of traces of moisture afforded (Cp-B)CpTi(mu-OH)Cl (5), with a rigid B-O-Ti chelate arrangement. Treatment of 1 with 1 or 2 equiv of LiHNCMe3 gives the binuclear titanium imido complexes [(Cp-B)TiCl(mu-NCMe3)](2) (7) and [(Cp-B)TiCl(mu-NCMe3). H2NCMe3](2) (8), respectively. These complexes are based on Ti2N2 rings but show no boron-imide interactions. In contrast, the reaction of 2 with LiNHCMe3 affords (Cp-B)CpTi(mu-NHCMe3)Cl (9), which exhibits a constrained-geometry type Cp-B-N arrangement. The crystal structures of 4, 5, 8, and 9 have been determined.

  DOI：

  10.1021/om9909744