[η5:σ-Me2C(C9H6)(C2B10H10)]Ti(NMe2)Cl | 386285-34-3

• 英文名称: [η5:σ-Me2C(C9H6)(C2B10H10)]Ti(NMe2)Cl
• 英文别名: [η5:σ-Me2C(C5H4)(C2B10H10)TiCl(NMe2)]
• CAS: 386285-34-3
• 化学式: C₁₂H₂₆B₁₀ClNTi
• 分子量: 375.788
• InChiKey: OFAYNUQHTQXAJG-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：

  [η5:σ-Me2C(C9H6)(C2B10H10)]Ti(NMe2)Cl 、 trimethylsilylmethyllithium 以 甲苯 为溶剂， 以75%的产率得到[η5:σ-Me2C(C5H4)(C2B10H10)Ti(CH2SiMe3)(NMe2)]
  参考文献：
  名称：

  Synthesis, Structural Characterization, Reactivity, and Thermal Stability of [η⁵:σ-Me₂C(C₅H₄)(C₂B₁₀H₁₀)]Ti(R)(NMe₂)

  摘要：

  Reaction of [eta:(5)sigma-Me2C(C5H4)(C2B10H10)]TiCl(NMe2)(1) with 1 equiv of PhCH2K, MeMgBr, or Me3SiCH2Li gave corresponding organotitanium alkyl complexes [eta:(5)sigma-Me2C(C5H4)(C2B10H10)]Ti(R)(NMe2)(R = CH2Ph (2), CH2-SiMe3 (4), or Me (5)) in good yields. Treatment of 1 with 1 equiv of n-BuLi afforded the decomposition product {[eta:(5)sigma-Me2C(C5H4)(C2B10H10)]Ti}(2)(mu-NMe)(mu:sigma-CH2NMe) (3). Complex 5 slowly decomposed to generate a mixed-valence dinuclear species {[eta:(5)-sigma Me2C(C5H4)(C2B10H10)]Ti}(2)(mu-NMe2)(mu:sigma-CH2NMe) (6). Complex 1 reacted with 1 equiv of PhNCO or 2,6-Me2C6H3NC to afford the corresponding monoinsertion product [eta:(5)sigma-Me2C(C5H4)(C2B10H10)]Ti(Cl)[eta(2)-OC(NMe2)NPh] (7) or [eta:(5)sigma-Me2C(C5H4)(C2B10H10)]Ti(Cl)[eta(2)-C(NMe2)=N(2,6-Me2C6H3)] (8). Reaction of 4 or 5 with 1 equiv of R'NC gave the titanium eta(2)-iminoacyl complexes [eta:(5)sigma-Me2C(C5H4)(C2B10H10)]Ti(NMe2)[eta C-2(R) = N(R')] (R = CH2SiMe3, R' = 2,6- Me2C6H3 (9) or Bu-t (10); R = Me, R' = 2,6-Me2C6H3 (11) or Bu-t (12)). The results indicated that the unsaturated molecules inserted into the Ti - N bond only in the absence of the Ti C( alkyl) bond and that the Ti - C( cage) bond remained intact. All complexes were fully characterized by various spectroscopic techniques and elemental analyses. Molecular structures of 2, 3, 6 - 8, and 10 - 12 were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/ic0604664
• 作为产物：
  描述：

  三甲基氯硅烷 、 [η5:σ-Me2C(C9H6)(C2B10H10)]Ti(NMe2)2 以 甲苯 为溶剂， 以65%的产率得到[η5:σ-Me2C(C9H6)(C2B10H10)]Ti(NMe2)Cl
  参考文献：
  名称：

  具有约束几何形状的碳硼烷配体的第4族金属配合物的合成，结构表征和烯烃聚合行为

  摘要：

  几种新的第4族金属的酰胺络合物与最近开发的限制几何构型碳硼烷配位体，[η 5：σ-ME 2 A（C 9 H ^ 6）（C 2乙10 ħ 10）] M（NR 2）2和[η 5：σ-ME 2 A（C 5 H ^ 4）（C 2乙10 ħ 10）] M（NR 2）2（A = C，硅; M =钛，锆; R =甲基，乙基），是在制备通过M（NR 2）4的胺消除反应获得良好的收率和甲苯中的相应中性配体。用2.5当量的Me酰胺配合物的治疗2 NH·HCl的或Me 3 N·盐酸导致相应的氯化物配合物的高产率，[{η 5：σ-ME 2 A（C 9 H ^ 6）（C 2乙10 ħ 10）}的ZrCl（μ-Cl）的1.5 ] 2 -（A = C，Si）的，这也可以由使用ZrCl之间等摩尔反应制备4（THF）2和[我2 C（ç 9 ħ 6） （C 2 B 10 H 10）] Li 2。相反，过量我3的SiCl只能转换[η

  DOI：

  10.1021/om010642a