[(Zr(η(5)-C5H3Bu(t)2)Me2)2(μ-Me2Si(C5H4)2)] | 161697-74-1

• 英文名称: [(Zr(η(5)-C5H3Bu(t)2)Me2)2(μ-Me2Si(C5H4)2)]
• CAS: 161697-74-1
• 化学式: C₄₂H₆₈SiZr₂
• 分子量: 783.535
• InChiKey: WYNXMJVDIDFQLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 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：

  [(Zr(η(5)-C5H3Bu(t)2)Me2)2(μ-Me2Si(C5H4)2)] 在 water 作用下， 以 正戊烷 为溶剂， 以40%的产率得到[(Zr(η(5)-C5H3Bu(t)2)2Me)2(μ-O)(μ-Me2Si(C5H4)2)]
  参考文献：
  名称：

  Dinuclear zirconium complexes with Me₂Si(C₅H₄)₂as bridging ligand. Molecular structure of [{Zr(η⁵-C₅H₃-Bu^t₂)Me}₂(µ-O){µ-Me₂Si(C₅H₄)₂}]

  摘要：

  The reaction of Li-2[Me(2)Si(C5H4)(2)] with 2 equivalents of [ZrLCl(3)] (L = C(5)Me(5) or C(5)H(3)Bu(2)(t)) in toluene under reflux gave the known [{Zr(C(5)Me(5))Cl-2}(2){mu-Me(2)Si(C5H4)(2)}] 1 and the new chloro derivative [{Zr(C5H3-Bu(2)(t))Cl-2}(2){mu-Me(2)Si(C5H4)(2)}] 2 in good yields. Addition of 4 equivalents of LiMe (or MgMeCl) to a pentane solution of 1 or 2 afforded the tetramethyl derivatives [{Zr(C5(M)e(5))Me(2)}(2){mu-Me(2)Si(C5H4)(2)}] 3 and [{Zr(C(5)H(3)Bu(2)(t))Me(2)}(2){mu-Me(2)Si(C5H4)(2)}] 4. Compound 3 is extremely moisture sensitive leading to the mu-oxo dinuclear complex [{Zr(C(5)Me(5))Me}(2)(mu-O){mu-Me(2)Si(C5H4)(2)}] 5, as demonstrated by H-1 NMR spectroscopy. Compound 4 reacted with water, in pentane or toluene, to give the mu-oxo dimethyl complex [{Zr(C(5)H(3)Bu(2)(t))Me}(2)(mu-O){mu-Me(2)Si(C5H4)(2)}] 6. Further reaction of 6 with water in toluene gave an unidentified insoluble yellow powder through the intermediate formation of a mu-dioxo methyl complex 7, identified by H-1 NMR spectroscopy. The crystal structure of 6 has been determined by X-ray diffraction methods: monoclinic, space group P2(1)/n, a = 15.494(4), b = 13.338(3), c = 19.933(4) Angstrom, beta = 107.19(1)degrees and Z = 4. Complex 6 is a dimer produced by the interaction of two Zr(eta(5)-C(5)H(3)Bu(2)(t))Me units bridged by one oxygen atom and the Me(2)Si(C5H4)(2) group.

  DOI：

  10.1039/dt9950000231
• 作为产物：
  描述：

  [(Zr(η(5)-C5H3Bu(t)2)Cl2)2(μ-Me2Si(C5H4)2)] 、 甲基锂 以 乙醚 、 正戊烷 为溶剂， 以80%的产率得到[(Zr(η(5)-C5H3Bu(t)2)Me2)2(μ-Me2Si(C5H4)2)]
  参考文献：
  名称：

  Dinuclear zirconium complexes with Me₂Si(C₅H₄)₂as bridging ligand. Molecular structure of [{Zr(η⁵-C₅H₃-Bu^t₂)Me}₂(µ-O){µ-Me₂Si(C₅H₄)₂}]

  摘要：

  The reaction of Li-2[Me(2)Si(C5H4)(2)] with 2 equivalents of [ZrLCl(3)] (L = C(5)Me(5) or C(5)H(3)Bu(2)(t)) in toluene under reflux gave the known [{Zr(C(5)Me(5))Cl-2}(2){mu-Me(2)Si(C5H4)(2)}] 1 and the new chloro derivative [{Zr(C5H3-Bu(2)(t))Cl-2}(2){mu-Me(2)Si(C5H4)(2)}] 2 in good yields. Addition of 4 equivalents of LiMe (or MgMeCl) to a pentane solution of 1 or 2 afforded the tetramethyl derivatives [{Zr(C5(M)e(5))Me(2)}(2){mu-Me(2)Si(C5H4)(2)}] 3 and [{Zr(C(5)H(3)Bu(2)(t))Me(2)}(2){mu-Me(2)Si(C5H4)(2)}] 4. Compound 3 is extremely moisture sensitive leading to the mu-oxo dinuclear complex [{Zr(C(5)Me(5))Me}(2)(mu-O){mu-Me(2)Si(C5H4)(2)}] 5, as demonstrated by H-1 NMR spectroscopy. Compound 4 reacted with water, in pentane or toluene, to give the mu-oxo dimethyl complex [{Zr(C(5)H(3)Bu(2)(t))Me}(2)(mu-O){mu-Me(2)Si(C5H4)(2)}] 6. Further reaction of 6 with water in toluene gave an unidentified insoluble yellow powder through the intermediate formation of a mu-dioxo methyl complex 7, identified by H-1 NMR spectroscopy. The crystal structure of 6 has been determined by X-ray diffraction methods: monoclinic, space group P2(1)/n, a = 15.494(4), b = 13.338(3), c = 19.933(4) Angstrom, beta = 107.19(1)degrees and Z = 4. Complex 6 is a dimer produced by the interaction of two Zr(eta(5)-C(5)H(3)Bu(2)(t))Me units bridged by one oxygen atom and the Me(2)Si(C5H4)(2) group.

  DOI：

  10.1039/dt9950000231