(η(5)-C5Me5)2Nb(O)OC(O)H | 214692-53-2

• 英文名称: (η(5)-C5Me5)2Nb(O)OC(O)H
• CAS: 214692-53-2
• 化学式: C₂₁H₃₁NbO₃
• 分子量: 424.382
• InChiKey: BNMLASSHMURNOX-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

• 作为产物：
  描述：

  甲酸 、 (η(5)-C5Me5)2Nb(O)OMe 以 乙醚 为溶剂， 以90%的产率得到(η(5)-C5Me5)2Nb(O)OC(O)H
  参考文献：
  名称：

  Syntheses and reactivity of oxo niobocene complexes Cp*2Nb(O)X (X=H, OCH3) and crystal structures of [Cp*2Nb(OH)F]BF4 and Cp*2Nb(O)OC(O)H (Cp*=η5-C5Me5)

  摘要：

  Reaction of Cp-2*NbCl2 (Cp* = eta(5)-C5Me5) with KOH or Ba(OH)(2) . 8H(2)O in THF forms the complexes Cp-2*Nb(=O)X OC = Cl: 2, H: 3). The ratio of 2 and 3 depends on the stoichiometry. If NaOMe is added or MeOH in solution Cp-2*Nb(=O)OMe 4 is formed in good yields. Reactivity studies with 3 and 4 show that the Nb=O as well as the Nb-X unit behave as chemically active sites. Protonation of 3 or 4 with HBF4 is followed by an attack of fluoride (from BF4- anion) to give [Cp-2*Nb(OH)F]BF4 6 and [Cp-2*NbF2]BF4 7. In contrast the reaction of 3 or 4 with HCO2H results in an exchange of X- by formate to give Cp-2*Nb(=O)OC(O)H 8. The crystal structures of 6 and 8 are reported. Electrochemical investigations of 2-4 and 7, 8 reveal reaction pathways for the transformation of 1 into 3. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00746-3