| 1096704-51-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1096704-51-6
• 化学式: C₃₁H₃₂Cl₃NO₂Ti
• 分子量: 604.84
• InChiKey: GDTDMTGARADTDC-FYTFDOFUSA-J

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：

  、 氯化新戊烷基镁 以 乙醚 为溶剂， 反应 0.08h， 以33%的产率得到
  参考文献：
  名称：

  Lewis Acid Promoted Titanium Alkylidene Formation: Off-Cycle Intermediates Relevant to Olefin Trimerization Catalysis

  摘要：

  Two new precatalysts for ethylene and a-olefin trimerization, (FI)Ti(CH2SiMe3)(2)Me and (FI)Ti(CH2CMe3)(2)Me (FI = phenoxy-imine), have been synthesized and structurally characterized by X-ray diffraction. (FI)Ti(CH2SiMe3)(2)Me can be activated with 1 equiv of B(C6F5)(3) at room temperature to give the solvent-separated ion pair [(FI)Ti(CH2SiMe3)(2)][MeB(C6F5)(3)], which catalytically trimerizes ethylene or 1-pentene to produce 1-hexene or C-15 olefins, respectively. The neopentyl analogue (FI)Ti(CH2CMe3)(2)Me is unstable toward activation with B(C6F5)(3) at room temperature, giving no discernible diamagnetic titanium complexes, but at -30 degrees C the following can be observed by NMR spectroscopy: (i) formation of the bis-neopentyl cation [(FI)Ti(CH2CMe3)(+), (ii) alpha-elimination of neopentane to give the neopentylidene complex [(FI)Ti(=CHCMe3)](+), and (iii) subsequent conversion to the imido-olefin complex [(MeOAr2N=)-Ti(OArHC=CHCMe3)](+) via an intramolecular metathesis reaction with the imine fragment of the (FI) ligand. If the reaction is carried out at low temperature in the presence of ethylene, catalytic production of 1-hexene is observed, in addition to the titanacyclobutane complex [(FI)Ti(CH(CMe3)CH2CH2)](+), resulting from addition of ethylene to the neopentylidene [(FI)Ti(=CHCMe3)](+). None of the complexes observed spectroscopically subsequent to [(FI)Ti(CH2CMe3)(2)](+) is an intermediate or precursor for ethylene trimerization, but notwithstanding these off-cycle pathways, [(FI)Ti(CH2CMe3)(+) is a precatalyst that undergoes rapid initiation to generate a catalyst for trimerizing ethylene or 1-pentene.

  DOI：

  10.1021/ja5055687
• 作为产物：
  描述：

  4-methyl-3-(adamantyl)-2-(OH)-C6H4C=N(2’-(2’’-(OMe)-C6H4)C6H4) 、 四氯化钛 以 甲苯 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  TRANSITION METAL COMPLEX COMPOUND, OLEFIN OLIGOMERIZATION CATALYST CONTAINING THE COMPOUND, AND METHOD FOR PRODUCING OLEFIN OLIGOMER PERFORMED IN THE PRESENCE OF THE CATALYST

  摘要：

  公开号：

  EP2174928B1
• 作为试剂：
  描述：

  乙烯 在 作用下， 50.0 ℃ 、1.0 MPa 条件下， 生成 1-己烯 、 2-丁基-1-己烯
  参考文献：
  名称：

  含苯氧基亚胺配体的钛配合物选择性乙烯三聚：反应中间体的NMR和EPR光谱研究

  摘要：

  催化剂体系（FI）TiCl 3 / MAO（FI =苯氧基亚胺配体，带有一个额外的芳基–O–CH 3供体）在选择性乙烯三聚反应中表现出极高的活性。通过NMR和EPR光谱，在催化剂体系（FI）TiCl 3 / MAO，（FI）TiCl 3 / MMAO和（FI）TiCl 3 / AlR 3 / [Ph 3 C]中形成的Ti物种的性质。+ [B（C 6 F 5）4 ] -（R = Me，Et，i Bu）已被研究。结果表明，[（FI）Ti IV Me 2 ] +类型的外球离子对[A] -（[A] - = [MeMAO] -，[MeMMAO] -，[B（C 6 F 5）4 ] -）在（FI）TiCl 3与MAO反应的初始阶段形成， MMAO和AlMe 3 / [Ph 3 C] + [B（C 6 F 5）4 ] -。这些离子对进一步部分转化为Ti III和Ti II物种。在系统中（FI）TiCl 3

  DOI：

  10.1021/om500017r