| 1350542-30-1

• CAS: 1350542-30-1
• 化学式: C₂₆H₄₀Cl₃HfNP₂
• 分子量: 713.407
• InChiKey: HFAZDDLGHJJAFN-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：

  、 甲基溴化镁 以 乙醚 、 甲苯 为溶剂， 以53%的产率得到
  参考文献：
  名称：

  Hafnium alkyl complexes of the anionic PNP pincer ligand and possible alkylidene formation

  摘要：

  The diarylamido-based PNP pincer ligand can be used successfully for support of organometallic Hf complexes (PNP - [(4-Me-2-(Pr2P)-Pr-i-C6H3)(2)N]). (PNP)HfCl3 (3) was prepared via reaction of (PNP)Li (2) with HfCl4(OEt2). Reactions of (PNP) HfCl3 with alkyl Grignards led to triple alkylation to produce (PNP) HfMe3 (4) with a small methyl or only double alkylation to give (PNP)Hf(CH2SiMe3)(2)Cl (5) with a larger alkyl. Structures of 3, 4, and 5 in the solid state were established by X-ray diffraction studies. Structures of the alkyl complexes 4 and 5 display remarkably irregular coordination environments about Hf, while in 3 it is approximately octahedral. Compound 4 was found to be thermally stable at 75 degrees C. On the other hand, thermolysis of 5 at similar conditions led to a mixture of products, the major one of which is believed to be a Hf alkylidene on the basis of in situ NMR spectroscopic observations (e.g., delta 248.2 ppm in the C-13{H-1} NMR spectrum). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.07.017
• 作为产物：
  描述：

  双[2-(二异丙基膦)-4-甲基苯基]胺 、 ethoxyethane;hafnium(4+);tetrachloride 在 nBuLi 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  Hafnium alkyl complexes of the anionic PNP pincer ligand and possible alkylidene formation

  摘要：

  The diarylamido-based PNP pincer ligand can be used successfully for support of organometallic Hf complexes (PNP - [(4-Me-2-(Pr2P)-Pr-i-C6H3)(2)N]). (PNP)HfCl3 (3) was prepared via reaction of (PNP)Li (2) with HfCl4(OEt2). Reactions of (PNP) HfCl3 with alkyl Grignards led to triple alkylation to produce (PNP) HfMe3 (4) with a small methyl or only double alkylation to give (PNP)Hf(CH2SiMe3)(2)Cl (5) with a larger alkyl. Structures of 3, 4, and 5 in the solid state were established by X-ray diffraction studies. Structures of the alkyl complexes 4 and 5 display remarkably irregular coordination environments about Hf, while in 3 it is approximately octahedral. Compound 4 was found to be thermally stable at 75 degrees C. On the other hand, thermolysis of 5 at similar conditions led to a mixture of products, the major one of which is believed to be a Hf alkylidene on the basis of in situ NMR spectroscopic observations (e.g., delta 248.2 ppm in the C-13{H-1} NMR spectrum). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.07.017