ZrCl2(2,6-(i-Pr)2C6H3N)(1,3,5-trimethyl-1,3,5-triazacyclohexane) | 289907-09-1

• 英文名称: ZrCl2(2,6-(i-Pr)2C6H3N)(1,3,5-trimethyl-1,3,5-triazacyclohexane)
• CAS: 289907-09-1
• 化学式: C₁₈H₃₂Cl₂N₄Zr
• 分子量: 466.609
• InChiKey: BGDABOVEDVTXNS-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  1,3,5-三甲基己羟基-1,3,5-三嗪 、 Zr(N(2,6-diisopropylphenyl))Cl2(THF)2 以 二氯甲烷-D2 为溶剂， 以>99的产率得到ZrCl2(2,6-(i-Pr)2C6H3N)(1,3,5-trimethyl-1,3,5-triazacyclohexane)
  参考文献：
  名称：

  Titanium imido complexes containing 1,3,5-triazacyclohexane ligands

  摘要：

  The syntheses of the 1,3,5-trimethyl- and tri-tert-butyl-1,3,5-triazacyclohexane-supported imido complexes [M(NR)(R'(3)tach)Cl-2] (M = Ti or Zr (NMR only); R = Bu-t or 2,6-C6H3Pr'(2); R' = Me or Bu-t) are reported, along with that of the thermally robust dibenzyl derivative [Ti(NBut)(Me(3)tach)(CH2Ph)(2)]. The tert-butylimido ligand in [Ti(NBut)(Me(3)tach)Cl-2] undergoes exchange with ArNH2 (Ar = 4-C6H3Me or 2,6-C6H3Pr'(2)) to form the corresponding arylimides [Ti(NAr)(Me(3)tach)Cl-2]. The Me(3)tach ring in [Ti(NR)(Me(3)tach)Cl-2] undergoes slow exchange with Bu(3)(t)tach or Me(3)tacn (1,4,7-trimethyl-1,4,7-triazacyclononane) to give the ring-exchanged products [Ti(NR)(Bu(3)(t)tach)Cl-2] and [Ti(NR)(Me(3)tacn)Cl-2], respectively. The complexes [Ti(NR)(Me(3)tach)X-2] (R = Bu-t or 2,6-C6H3Pr2i; X = Cl or CH2Ph) exhibit room-temperature dynamic NMR behaviour via an unusual trigonal twist of the facially coordinated Me(3)tach ligand, and the activation parameters for these processes have been measured and are discussed. The X-ray structures of [Ti(NR)(Bu(3)(t)tach)Cl-2] (R = Bu-t or 2,6-C6H3Pr2i) and [Ti(NBut)(Me(3)tach)(X)(2)] (X = Cl or CH2Ph) are reported. Me(3)tach and Bu(3)(t)tach = 1,3,5-trimethyl- and tri-tert-butyl-1,3,5-triazacyclohexane, respectively. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00032-2