[2,6-di(propan-2-yl)phenyl]azanide;hafnium(4+);methanidylbenzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene | 439659-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: [2,6-di(propan-2-yl)phenyl]azanide;hafnium(4+);methanidylbenzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 439659-63-9
• 化学式: C₃₆H₄₇HfN
• 分子量: 672.266
• InChiKey: RNBLATQWZAHGGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  38
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [2,6-di(propan-2-yl)phenyl]azanide;hafnium(4+);methanidylbenzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Hafnium imido complexes containing silyl ligands

  摘要：

  The hafnium imido dichloride (2,6-i-Pr2C6H3)N=Hf(THF)(2)Cl-2 (1) reacts with two equivalents of Ph3SiLi(THF)(3) to yield the corresponding disilyl complex (2,6-i-Pr2C6H3)N=Hf(THF)(2)(SiPh3)(2) (2) in low yield. Compound 2 was crystallographically characterized. The hafnium monosityl complex (2,6-i-Pr2C6H3)N=Hf(4-t-BuC5H4N)(2)Cl[Si(SiMe3)(3)] (4) was synthesized in a similar manner from (2,6-i-Pr2C6H3)N=Hf(4-t-BuC5H4N)(2)Cl-2 (3) and one equivalent of (Me3Si)(3)SiK in good yield. The Cp*-containing hafnium imido complex {Cp*HfCl[mu-N(2,6-i-Pr2C6H3)]}(2) (5) was prepared by thermolysis of Cp*Hf[Si(SiMe3)(3)][NH(2,6-i-Pr2C6H3)]Cl via loss of (Me3Si)(3)SiH. Complex 5 was crystallographically characterized. Attempts to prepared derivatives of 5 with reactive sigma-bonds resulted in the formation of Cp*-cyclometallated species. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01386-9
• 作为产物：
  描述：

  hafnium(4+);methanidylbenzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene 、 2,6-二异丙基苯胺 以 正戊烷 为溶剂， 以78%的产率得到[2,6-di(propan-2-yl)phenyl]azanide;hafnium(4+);methanidylbenzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
  参考文献：
  名称：

  Hafnium imido complexes containing silyl ligands

  摘要：

  The hafnium imido dichloride (2,6-i-Pr2C6H3)N=Hf(THF)(2)Cl-2 (1) reacts with two equivalents of Ph3SiLi(THF)(3) to yield the corresponding disilyl complex (2,6-i-Pr2C6H3)N=Hf(THF)(2)(SiPh3)(2) (2) in low yield. Compound 2 was crystallographically characterized. The hafnium monosityl complex (2,6-i-Pr2C6H3)N=Hf(4-t-BuC5H4N)(2)Cl[Si(SiMe3)(3)] (4) was synthesized in a similar manner from (2,6-i-Pr2C6H3)N=Hf(4-t-BuC5H4N)(2)Cl-2 (3) and one equivalent of (Me3Si)(3)SiK in good yield. The Cp*-containing hafnium imido complex {Cp*HfCl[mu-N(2,6-i-Pr2C6H3)]}(2) (5) was prepared by thermolysis of Cp*Hf[Si(SiMe3)(3)][NH(2,6-i-Pr2C6H3)]Cl via loss of (Me3Si)(3)SiH. Complex 5 was crystallographically characterized. Attempts to prepared derivatives of 5 with reactive sigma-bonds resulted in the formation of Cp*-cyclometallated species. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01386-9