[η5:σ-Me2C(C5H4)(C2B10H10)Ti(CH2Ph)(NMe2)] | 905309-40-2

• 英文名称: [η5:σ-Me2C(C5H4)(C2B10H10)Ti(CH2Ph)(NMe2)]
• CAS: 905309-40-2
• 化学式: C₁₉H₃₃B₁₀NTi
• 分子量: 431.468
• InChiKey: ZIFVRXKYGAFITH-UHFFFAOYSA-N

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：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  benzyl potassium 、 [η5:σ-Me2C(C9H6)(C2B10H10)]Ti(NMe2)Cl 以 四氢呋喃 为溶剂， 以54%的产率得到[η5:σ-Me2C(C5H4)(C2B10H10)Ti(CH2Ph)(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