Zr2(μ-O(i)Pr)2(μ-OOCCCl3)(O(i)Pr)4(OOCCCl3)(HO(i)Pr) | 914462-27-4

• 英文名称: Zr2(μ-O(i)Pr)2(μ-OOCCCl3)(O(i)Pr)4(OOCCCl3)(HO(i)Pr)
• CAS: 914462-27-4
• 化学式: C₂₅H₅₀Cl₆O₁₁Zr₂
• 分子量: 921.831
• InChiKey: VHSPAFMEKPDBHT-UHFFFAOYSA-L

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：

  三氯乙酸 、 异丙醇锆(IV) 以 甲苯 为溶剂， 以99%的产率得到Zr2(μ-O(i)Pr)2(μ-OOCCCl3)(O(i)Pr)4(OOCCCl3)(HO(i)Pr)
  参考文献：
  名称：

  Structural characterization of zirconium isopropoxide precursors modified by di- and trichloroacetic acids

  摘要：

  Reactions Of Zr((OPr)-Pr-i)(4)((PrOH)-O-i) with di- and trichloroacetic acid in 1:1 molar ratio in toluene gave the products Zr-2(mu-(OPr)-Pr-i)(2)(mu-OOCCHCl2)((OPr)-Pr-i)(4)(OOCCHCl2)((HOPr)-Pr-i) (1) and Zr-2(mu-(OPr)-Pr-i)(2)(mu OOCCCl3)((OPr)-Pr-i)(4)(OOCCCl3)((HOPr)-Pr-i) (2), respectively, in quantitative yields. The molecular geometry of both (1) and (2) is constituted by a slightly distorted edge-shared bioctahedron and both have almost similar bond dimensions. Addition of dichloroacetic acid in 1:2 molar ratio to Zr((OPr)-Pr-i)4((HOPr)-Pr-i) in toluene although yielded the bis-substituted crude product Zr((OPr)-Pr-i)(2)(OOCCHCl2)(2)((HOPr)-Pr-i) (3) but its solution in toluene left for crystallization formed a tri-nuclear oxo product Zr-3(mu 3-O)(mu-(OPr)-Pr-i)(2)(mu-OOCCHCl2)(3)(eta-OOCCHCl2)(2)((OPr)-Pr-i)(3) (3a). The three zirconium atoms in the structure of (3) are forming an isosceles triangle with a triply bridged oxo moiety at its center. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.07.005