[Zr(κ3-N,N,N-tris(4,4-dimethyl-2-oxazolinyl)phenylborate)Cl3] | 1030839-76-9

• 英文名称: [Zr(κ3-N,N,N-tris(4,4-dimethyl-2-oxazolinyl)phenylborate)Cl3]
• CAS: 1030839-76-9
• 化学式: C₂₁H₂₉BCl₃N₃O₃Zr
• 分子量: 579.874
• InChiKey: DLFJYHMMZIUHDW-UHFFFAOYSA-K

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：

  [Zr(κ3-N,N,N-tris(4,4-dimethyl-2-oxazolinyl)phenylborate)Cl3] 、 lithium dimethylamide 以 氘代苯 为溶剂， 生成 [Zr(κ3-N,N,N-tris(4,4-dimethyl-2-oxazolinyl)phenylborate)(NMe2)Cl2]
  参考文献：
  名称：

  A New Scorpionate Ligand: Tris(4,4-dimethyl-2-oxazolinyl)borate and Its Zirconium(IV) Complexes

  摘要：

  The first example of a new class of oxazoline-based scorpionate ligand, tris(4,4-dimethyl-2-oxazolinyl)phenyl borate, [To(M)](-), is prepared by reaction of 2-lithio-4,4-dimethyl-2-oxazolide and 0.3 equiv of dichlorophenylborane. The steric bulk of this ligand is greater than that of tris(3,5-Me-2-pyrazolyl)borate (Tp*), as quantified by comparison of solid angles of crystallographically characterized zirconium(IV) complexes.

  DOI：

  10.1021/om800252p
• 作为产物：
  描述：

  4,4-二甲基-2-氧唑啉 以 四氢呋喃 、 甲苯 为溶剂， 生成 [Zr(κ3-N,N,N-tris(4,4-dimethyl-2-oxazolinyl)phenylborate)Cl3]
  参考文献：
  名称：

  A New Scorpionate Ligand: Tris(4,4-dimethyl-2-oxazolinyl)borate and Its Zirconium(IV) Complexes

  摘要：

  The first example of a new class of oxazoline-based scorpionate ligand, tris(4,4-dimethyl-2-oxazolinyl)phenyl borate, [To(M)](-), is prepared by reaction of 2-lithio-4,4-dimethyl-2-oxazolide and 0.3 equiv of dichlorophenylborane. The steric bulk of this ligand is greater than that of tris(3,5-Me-2-pyrazolyl)borate (Tp*), as quantified by comparison of solid angles of crystallographically characterized zirconium(IV) complexes.

  DOI：

  10.1021/om800252p