[Sr(2,2,6,6-tetramethylheptane-3,5-dionate)2(pyrazole)3] | 655225-40-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Sr(2,2,6,6-tetramethylheptane-3,5-dionate)2(pyrazole)3]
• CAS: 655225-40-4
• 化学式: C₃₁H₅₀N₆O₄Sr
• 分子量: 658.396
• InChiKey: DGRHZWDNOHEVKT-UHFFFAOYSA-N

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：

  titanium diisopropoxide bis(dipivaloylmethanate) 、 [Sr(2,2,6,6-tetramethylheptane-3,5-dionate)2(pyrazole)3] 、 水 以 甲苯 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  From mono- to poly-nuclear heteroleptic alkaline earth-titanium complexes containing 2,2,6,6-tetramethylheptane-3,5-dionate (thd) and pyrazole (Hpz) or 3,5-dimethylpyrazole (Hpz*) ligands.

  摘要：

  By interaction of Ba or Sr metals with 2,2,6,6-tetramethylheptane-3,5-dione (Hthd) and pyrazole (Hpz) or 3,5-dimethylpyrazole (Hpz*), the volatile compounds [M(thd)(2)(L)(n)](m) (1-4) (1: m = 2, n = 2, L = Hpz, M = Ba; 2: m = 1, n = 3, L = Hpz, M = Sr; 3: m = 2, n = 2, L = Hpz*, M = Ba; 4: m = 1, n = 3, L = Hpz*, M = Sr) have been obtained. They have been characterized by analytical and spectral methods (IR, H-1 and C-13 NMR, ESI MS spectroscopy). They are shown to be fluxional at room temperature in CDCl3 solution. The crystal structures of 1 and 3 consist of centrosymmetric dinuclear species with two 8-coordinate Ba centers, each surrounded by a chelating terminal thd, two bridging thd and two monodentate L. Whereas the structure of the strontium derivative 4 is mononuclear; hepta-coordination of Sr being due to two chelating thd and three monodentate Hpz*. [Sr(thd)(2)(Hpz)(3)] (2) interacts with [Ti((PrO)-Pr-i)(2)(thd)(2)] yielding the heterometallic compound {[Ti(thd)(2)(mu(3)-O)(mu-(BuC)-C-t(O)CH2CH2O)Sr(thd)(mu-Bu-t-COO)](2)Sr(Hpz)(2)} (5) upon cleavage of the diketonate ligand thd (retro-Claisen condensation). In 5, the strontium atoms are linked with each other by tetradentate pivalate groups with mu(2)-oxygen atoms and by oxo-bridges also bonded to Ti(thd)(2) moiety together with chelating bridging ketoalkoxide groups. When the reaction between [Ba(thd)(2)(Hpz)(2)] (1) and [Ti((PrO)-Pr-i)(2)(thd)(2)] was carried out, the dinuclear [Ti(mu-O)(thd)(2)](2).0.5Hpz (6) was the only species identified. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00276-7