[(4-tert-BuC6H4C(SiMe3)PPh2NC6H2Me3-2,4,6)HfCl3] | 933787-98-5

• 英文名称: [(4-tert-BuC6H4C(SiMe3)PPh2NC6H2Me3-2,4,6)HfCl3]
• 英文别名: [(4-tert-BuC6H4C(SiMe3)PPh2Nmes)HfCl3]
• CAS: 933787-98-5
• 化学式: C₃₅H₄₃Cl₃HfNPSi
• 分子量: 821.641
• InChiKey: QSMXDJHZXNEDNA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(4-tert-BuC6H4C(SiMe3)PPh2NC6H2Me3-2,4,6)HfCl3] 、 甲基氯化镁 以 四氢呋喃 、 甲苯 为溶剂， 以43%的产率得到[(4-tert-BuC6H4C(SiMe3)PPh2Nmes)HfMe3]
  参考文献：
  名称：

  Synthesis and structure of bulky phosphiniminato complexes of zirconium and hafnium: Aryl groups as “non-innocent” substituents in electrophilic systems

  摘要：

  Sterically highly hindered phosphiniminato complexes MCl3(NCP) were prepared from MCl4 and Li[NPC] in toluene [M = Zr or Hf, NPC = 4-(BuC6H4C)-C-t(SiMe3)P(Ph)(2)=NC6H2Me3-2,4,6]. Reaction with methyl lithium readily affords the corresponding zirconium and hafniurn trimethyl complexes. The structures of representative zirconium and hafniurn complexes MX3(NPC) (X = Cl, M = Zr, Hf; X = Me, M = Hf) were determined by X-ray diffraction. In all cases the NPC ligand acts as C-N chelate, with an additional bonding contribution from the ipso-carbon atom of the C-bound aryl substituent, which results in a eta(1):eta(2)-coordination mode. The reaction of the hafniurn trimethyl complex with CPh3+ salts of perfluoroarylborate anions results either in the diastereoselective formation of the binuclear cation [{(NPC)HfMe2}(2)(mu-Me)](+) or in the formation of the mononuclear cation [(NPC)HtMe(2)](+), depending on the molar ratio of reagents. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.03.013
• 作为产物：
  描述：

  [(4-tert-BuC6H4C(SiMe3)PPh2NC6H2Me3-2,4,6)Li(THF)2] 、 氯化铪 以 甲苯 为溶剂， 以66%的产率得到[(4-tert-BuC6H4C(SiMe3)PPh2NC6H2Me3-2,4,6)HfCl3]
  参考文献：
  名称：

  Synthesis and structure of bulky phosphiniminato complexes of zirconium and hafnium: Aryl groups as “non-innocent” substituents in electrophilic systems

  摘要：

  Sterically highly hindered phosphiniminato complexes MCl3(NCP) were prepared from MCl4 and Li[NPC] in toluene [M = Zr or Hf, NPC = 4-(BuC6H4C)-C-t(SiMe3)P(Ph)(2)=NC6H2Me3-2,4,6]. Reaction with methyl lithium readily affords the corresponding zirconium and hafniurn trimethyl complexes. The structures of representative zirconium and hafniurn complexes MX3(NPC) (X = Cl, M = Zr, Hf; X = Me, M = Hf) were determined by X-ray diffraction. In all cases the NPC ligand acts as C-N chelate, with an additional bonding contribution from the ipso-carbon atom of the C-bound aryl substituent, which results in a eta(1):eta(2)-coordination mode. The reaction of the hafniurn trimethyl complex with CPh3+ salts of perfluoroarylborate anions results either in the diastereoselective formation of the binuclear cation [{(NPC)HfMe2}(2)(mu-Me)](+) or in the formation of the mononuclear cation [(NPC)HtMe(2)](+), depending on the molar ratio of reagents. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.03.013