[Zr[μ-((SiMe2)2(η(5)-C5H3)2)](η(2)-CMeN(t)Bu)]2(μ-O) | 197309-26-5

• 英文名称: [Zr[μ-((SiMe2)2(η(5)-C5H3)2)](η(2)-CMeN(t)Bu)]2(μ-O)
• CAS: 197309-26-5
• 化学式: C₄₀H₆₀N₂OSi₄Zr₂
• 分子量: 879.719
• InChiKey: JUWQJHUSLXVXPA-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  Zr[μ-((SiMe2)2(η(5)-C5H3)2)]Me(η(2)-CMeN(t)Bu) 、 水 以 甲苯 为溶剂， 以64%的产率得到[Zr[μ-((SiMe2)2(η(5)-C5H3)2)](η(2)-CMeN(t)Bu)]2(μ-O)
  参考文献：
  名称：

  Insertion of isocyanides into zirconium-alkyl bonds of di-ansa-zirconocene complexes. X-ray molecular structure of Zr{(SiMe2)2(η5−C5H3)2}Cl{η2−C(i−Pr)N(2,6-Me2C6H3)

  摘要：

  New dicyclopentadienyl iminoacyl zirconium complexes have been prepared and characterized by NMR spectroscopy. The reaction of [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}Me-2] with CNR (R = 2,6-Me2C6H3, t-Bu) yields [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}Me(eta(2)-CMeNR)] (R = 2,6-Me2C6H3, t-Bu), which reacts with a stoichiometric amount of water to give the mu-oxo dimers [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}(eta(2)-CMeNR)](2)(mu-O) (R = 2,6-Me2C6H3, t-Bu). The chloro neophyl complex [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}Cl(CH2CMe2Ph)] and other beta-hydrogen containing zirconium chloro alkyls [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}ClR] (R = Et, n-Pr, i-Pr) react with CN(2,6-Me2C6H3) to yield the related chloro iminoacyl complexes [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}Cl{eta(2)-CRN(2,6-Me2C6H3)}] (R = Et, n-Pr, i-Pr), whereas no reaction was observed when CN(t-Bu) was used. All the new iminoacyl complexes were characterized by H-1 and C-13 NMR spectroscopy and the X-ray molecular structure of [Zr{(SiMe2)(2)(eta(5)-C5H3)(2)}Cl{eta(2)-C(i-Pr)N(2,6-Me2C6H3)}] was studied by diffraction methods to prove the expected 'inside' coordination of the iminoacyl nitrogen atom. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00155-1