[Ti(η5-C5H4SiMe2NMe(CH2)2-κ-NMe)Cl2] | 1198209-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: [Ti(η5-C5H4SiMe2NMe(CH2)2-κ-NMe)Cl2]
• 英文别名: 2-[[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-methylamino]ethyl-methylazanide;titanium(4+);dichloride
• CAS: 1198209-02-7
• 化学式: C₁₅H₂₈Cl₂N₂SiTi
• 分子量: 383.272
• InChiKey: ZUQHFGQPTMYXMS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.01
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  4.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (1-(chlorodimethylsilyl)-2,3,4,5-tetramethylcyclopentadienyl)titanium trichloride 、 N,N'-二甲基乙二胺 在 triethylamine 作用下， 以 甲苯 为溶剂， 生成 [Ti(η5-C5H4SiMe2NMe(CH2)2-κ-NMe)Cl2]
  参考文献：
  名称：

  M−Cl/Si−Cl Preferential Reactivity in Chlorosilyl-Substituted Cyclopentadienyl Early Transition Metal Complexes in Reactions with Amines: Key to Understanding the Nature of the Final Product

  摘要：

  The reaction of [Ti(eta(5)-C5Me4SiMe2Cl)Cl-3] (1) with 1 equiv of different ethylenediamines, NHR-(CH2)(2)NR'R '', regiospecifically affords cyclopentadienyl-silyl-amido derivatives with constrained geometry, [Ti{eta(5)-C5Me4SiMe2-kappa-N(CH2)(2)NR'R ''}Cl-2] (R' = R '' = H, 2a; R' = H, R '' = Me, 2b; R' = R" = Me, 2c) or unstrained structure, [Ti{eta(5)-C5Me4SiMe2NMe(CH)(2)-kappa-NMe)Cl-2] (3). Treatment of 1 with 1.5 equiv of ethylenediamine gives a mixture of 2a and the transient complex [Ti{eta(5)-C5Me4SiMe2NH(CH2)(2)NH2}Cl-3] (4), which is transformed into 2a upon addition of a base. The reaction of 1 with N,N,N'-trimethylethylenediamine permits the synthesis and isolation of the complex [Ti{eta(5)-C5Me4SiMe2NMe(CH2)(2)NMe2]Cl-3](5). Compound 1 reacts with 0.5 equiv of NH2(CH2)(2)NH2 to yield a mixture of 2a along with the tethered dinuclear cyclopentadienyl-silyl-amido compound [Ti{eta(5)-C5Me4SiMe2-kappa-N(CH2)-} Cl-2](2) (6).

  DOI：

  10.1021/om9008026