[Nb(η(5)-C5H4SiMe3)2(OC(O)Me-O,O')] | 172907-19-6

• 英文名称: [Nb(η(5)-C5H4SiMe3)2(OC(O)Me-O,O')]
• CAS: 172907-19-6
• 化学式: C₁₈H₂₉NbO₂Si₂
• 分子量: 426.504
• InChiKey: WLZZKBHIIYMFCB-UHFFFAOYSA-M

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：

  [Nb(η(5)-C5H4SiMe3)2(OC(O)Me-O,O')] 在 一氧化碳 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到[Nb(η(5)-C5H4SiMe3)2(OC(O)CH3)(CO)]
  参考文献：
  名称：

  Synthesis, electrochemistry and reactivity of formato– and acetato–niobocene complexes

  摘要：

  The complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)H-3] 1 reacted with CO2 to give the formato complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2){OC(O)H-O,O'}] 2, which can alternatively be prepared from a two-electron reduction of [Nb(eta(5)-C(5)M(4)SiMe(3))(2)Cl-2] 3 in the presence of formic acid. the reaction of 2 with different pi-acids or heterocumulene molecules resulted in opening of the bidentate formate ligand giving rise to the monodentate formato-containing complexes [Nb(eta 5-C(5)H(4)SiMe(3))(2){OC(O)H-O}L], L = CS2 4, CO 5 or 2,6-Me(2)C(6)H(3)NC 6. On the other hand; [Nb(eta(5)-C(5)H(4)SiMe(3))(2){OC(O)Me-O,O'}] 8 was prepared from either the reaction of [Nb(eta(5)-C(5)H(4)SiMe(3))(2)Cl] 7 with 1 equivalent of TI(O(2)CMe) or from a two-electron reduction of 3 in the presence of acetic acid. The complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)(MeCOCHCOMe-O,O')] 9 can also be isolated from the reaction of 7 with 1 equivalent of Tl(acac) (acac = acetylacetonate). Complex 8 reacted with oxygen to give [Nb(eta(5)-C(5)H(4)SiMe(3))(2)O{OC(O)Me-O}] 10, and with pi-acids or heterocumulenes to give products with a monodentate OC(O)Me ligand, namely [Nb(eta(5)-C(5)H(4)SiMe(3))(2){OC(O)Me-O}L], L = CS2 11, SCNPh 12, PhNCCPhEt 13, MeO(2)CC=CCO(2)Me 14, Bu(t)NC 15 or CO 16. The structures of all complexes have been established by spectroscopic methods.

  DOI：

  10.1039/dt9950003409
• 作为产物：
  描述：

  dichlorobis{η-(trimethylsilyl)cyclopentadienyl}niobium(IV) 在 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 [Nb(η(5)-C5H4SiMe3)2(OC(O)Me-O,O')]
  参考文献：
  名称：

  Synthesis, electrochemistry and reactivity of formato– and acetato–niobocene complexes

  摘要：

  The complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)H-3] 1 reacted with CO2 to give the formato complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2){OC(O)H-O,O'}] 2, which can alternatively be prepared from a two-electron reduction of [Nb(eta(5)-C(5)M(4)SiMe(3))(2)Cl-2] 3 in the presence of formic acid. the reaction of 2 with different pi-acids or heterocumulene molecules resulted in opening of the bidentate formate ligand giving rise to the monodentate formato-containing complexes [Nb(eta 5-C(5)H(4)SiMe(3))(2){OC(O)H-O}L], L = CS2 4, CO 5 or 2,6-Me(2)C(6)H(3)NC 6. On the other hand; [Nb(eta(5)-C(5)H(4)SiMe(3))(2){OC(O)Me-O,O'}] 8 was prepared from either the reaction of [Nb(eta(5)-C(5)H(4)SiMe(3))(2)Cl] 7 with 1 equivalent of TI(O(2)CMe) or from a two-electron reduction of 3 in the presence of acetic acid. The complex [Nb(eta(5)-C(5)H(4)SiMe(3))(2)(MeCOCHCOMe-O,O')] 9 can also be isolated from the reaction of 7 with 1 equivalent of Tl(acac) (acac = acetylacetonate). Complex 8 reacted with oxygen to give [Nb(eta(5)-C(5)H(4)SiMe(3))(2)O{OC(O)Me-O}] 10, and with pi-acids or heterocumulenes to give products with a monodentate OC(O)Me ligand, namely [Nb(eta(5)-C(5)H(4)SiMe(3))(2){OC(O)Me-O}L], L = CS2 11, SCNPh 12, PhNCCPhEt 13, MeO(2)CC=CCO(2)Me 14, Bu(t)NC 15 or CO 16. The structures of all complexes have been established by spectroscopic methods.

  DOI：

  10.1039/dt9950003409