[TaCp*Cl(OTf)(2,6-(OOC)2py-κ2O,O)] | 1084907-27-6

• 英文名称: [TaCp*Cl(OTf)(2,6-(OOC)2py-κ2O,O)]
• CAS: 1084907-27-6
• 化学式: C₁₈H₁₈ClF₃NO₇STa
• 分子量: 665.806
• InChiKey: PFXNYEYLROXBMV-UHFFFAOYSA-J

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：

  [TaCp*Cl2(2,6-(OOC)2py-κ2O,O)] 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以78%的产率得到[TaCp*Cl(OTf)(2,6-(OOC)2py-κ2O,O)]
  参考文献：
  名称：

  Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide

  摘要：

  The tantalum complex [TaCp*Cl-2{2,6(OOC)(2Py)-kappa O-2,O}] (1) has been synthesized by reaction of [TaCp*Cl-4], CP* = eta(5)-C5Me5, with 2,6-pyridinedicarboxylic acid. Complex 1 reacts with AgOTf, OTf = trifluoromethylsulfate, to yield the new tantalum carboxylate derivative [TaCp*Cl(OTf) {2,6(OOC)(2)py-kappa O-2,O}] (2) with KOH to render the dinuclear oxo compound [TaCp*(u-O){2,6(OOC}(2)py-kappa O-2,O}](2) (3). The reaction of 3 with H2O and HOTf gives the dinuclear hydroxo derivative [{TaCp*{2,6(OOC)(2)py- kappa(2) O,O}}(2)(mu-OH)(3)(OTf) (5). The structures of complexes 1, 2, 3, and 5 have been established by X-ray diffraction methods.

  DOI：

  10.1021/om8006932