1-methoxy-1,3-butanedionato-κ2-O,O'-bis(η5-cyclopentadienyl)titanium(IV) perchlorate | 940980-19-8

• 英文名称: 1-methoxy-1,3-butanedionato-κ2-O,O'-bis(η5-cyclopentadienyl)titanium(IV) perchlorate
• CAS: 940980-19-8
• 化学式: C₁₅H₁₇O₃Ti*ClO₄
• 分子量: 392.629
• InChiKey: XVOASPSBWXNGKX-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：

  二氯二茂钛 、 (2Z)-3-羟基-2-丁烯酸甲酯 、 水 、 silver perchlorate 以 水 为溶剂， 以48%的产率得到1-methoxy-1,3-butanedionato-κ2-O,O'-bis(η5-cyclopentadienyl)titanium(IV) perchlorate
  参考文献：
  名称：

  Synthesis, crystal structure and electrochemistry of tetrahedral mono-β-diketonato titanocenyl complexes

  摘要：

  The synthesis of a variety of tetrahedral beta-diketonato titanium(IV) complexes of the type [(C5H5)(2)Ti(CH3COCHCOR)]+ClO4- with R = CF3, OCH3, C6H5, CH3 and Fc is described. The Ti-III/T-IV couples and the Fc/Fc(+) couple exhibited chemically and electrochemically reversible cyclic voltammetric behaviour. The formal reduction potential of the Ti-III/IV couple increased as the group electronegativity of the R group of the beta-diketonato ligand increased. Bulk electrolysis showed that one electron was transferred in the Ti-III/IV couple and one electron in the ferrocenyl/ferrocenium redox couple in the ligand. The crystal structure for the R = OCH3 complex showed that this P-keto-ester binds through the carbonyl oxygen of the ester group and not the ether oxygen. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.11.010