[2-[bis[(2-trimethylsilylazanidylphenyl)methyl]phosphanylmethyl]phenyl]-trimethylsilylazanide;hafnium(4+);chloride | 1588455-83-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-[bis[(2-trimethylsilylazanidylphenyl)methyl]phosphanylmethyl]phenyl]-trimethylsilylazanide;hafnium(4+);chloride
• CAS: 1588455-83-7
• 化学式: C₃₀H₄₅ClHfN₃PSi₃
• 分子量: 776.881
• InChiKey: YISXHBMOBRPUFG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.59
• 重原子数：
  39
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯化铪(IV)四氢呋喃络合物 、 trilithium;[2-[bis[(2-trimethylsilylazanidylphenyl)methyl]phosphanylmethyl]phenyl]-trimethylsilylazanide;ethoxyethane;oxolane 以 甲苯 为溶剂， 反应 6.0h， 以56%的产率得到[2-[bis[(2-trimethylsilylazanidylphenyl)methyl]phosphanylmethyl]phenyl]-trimethylsilylazanide;hafnium(4+);chloride
  参考文献：
  名称：

  A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals

  摘要：

  A new tripodal trisamidophosphine ligand (1) based on the trisbenzylphosphine backbone has been synthesized in three steps starting from NaPH2, and phthaloyl-protected 2-aminobenzyl bromide. At elevated temperatures, 1 reacts directly with M(NMe2)(4) (M = Zr, Hf) to afford the dimethylamido complexes [PN3]M(NMe2) (M = Zr, Hf) (2), which are easily converted into the corresponding triflates [PN3]MOTf (M = Zr, Hf) (3) via reaction with triethylsilyl trifluoromethanesulfonate. The related titanium chloro complex [PN3]TiCl (4-Ti) is obtained from 1 and Bn3TiCl via protonolysis. Triple deprotonation of 1 with n-butyllithium affords the tris-lithium salt Li-3[PN3] (1-Li), which serves as a common starting material for the preparation of all the group(IV) chlorides [PN3]MCl (M = Ti, Zr, Hf) (4). Upon treatment of 4-Ti with Bn2Mg(thf)(2), formation of a benzyltitanium species is observed, which is converted cleanly into a ligand-CH-activated species (5-Ti).

  DOI：

  10.1021/ic500163c