[V2(μ-Cl)2Cl4(ethyl acetate)4] | 164175-04-6

• 英文名称: [V2(μ-Cl)2Cl4(ethyl acetate)4]
• CAS: 164175-04-6
• 化学式: C₁₆H₃₂Cl₆O₈V₂
• 分子量: 667.026
• InChiKey: DQAHBJXTTXXWGV-UHFFFAOYSA-H

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：

  [V2(μ-Cl)2Cl4(ethyl acetate)4] 、 丙二酸二乙酯 在 water 、 O₂ or air 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 以52%的产率得到[V2(μ-Cl)2Cl4(diethyl malonate)2]
  参考文献：
  名称：

  Synthesis and characterization of new di- and tetra-meric vanadium intermediates of olefin polymerization catalysts. Crystal structures of [V₂(µ-Cl)₂Cl₄(MeCo₂Et)₄] and [{VOCl₂[CH₂(CO₂Et)₂]}₄]·2CH₂Cl₂

  摘要：

  The direct reaction of VCl3 and ethyl acetate yields [V-2(mu-Cl)(2)Cl-4(MeCO(2)Et)(4)] 1. The compound [V-2(mu-Cl)(2)Cl-4{CH2(CO(2)Et)(2)}(2)] 2 was obtained in dichloromethane via the substitution of MeCO(2)Et in 1 by ethyl malonate. During crystallization of 2, under the influence of dioxygen and moisture, the tetrameric compound [{VOCl2[CH2(CO(2)Et)(2)]}(4)]. 2CH(2)Cl(2) 3 was formed. The crystal structures of 1 a nd 3 have been determined by single-crystal X-ray diffraction studies. The dimeric compound 1 exhibits six-co-ordinate V-III centres [separated by a V ... V distance of 3.590(1) Angstrom] surrounded by two terminal Cl atoms, two carbonyl oxygen atoms of co-ordinated ethyl acetate molecules and linked by two bridging Cl atoms. In the tetrameric species 3, the four vanadium(IV) atoms have equivalent octahedral geometries. being bonded by two mutually cis chlorine atoms, two mutually cis carbonyl oxygen atoms of chelate ethyl malonate and two mutually cis oxygen atoms. High catalytic activity was found for 1, 2 and [V-2(mu-Cl)(2)Cl-4(thf)(4)] (thf = tetrahydrofuran).

  DOI：

  10.1039/dt9950001727
• 作为产物：
  描述：

  氯化钒 、 乙酸乙酯 以 乙酸乙酯 为溶剂， 以75.7%的产率得到[V2(μ-Cl)2Cl4(ethyl acetate)4]
  参考文献：
  名称：

  Synthesis and characterization of new di- and tetra-meric vanadium intermediates of olefin polymerization catalysts. Crystal structures of [V₂(µ-Cl)₂Cl₄(MeCo₂Et)₄] and [{VOCl₂[CH₂(CO₂Et)₂]}₄]·2CH₂Cl₂

  摘要：

  The direct reaction of VCl3 and ethyl acetate yields [V-2(mu-Cl)(2)Cl-4(MeCO(2)Et)(4)] 1. The compound [V-2(mu-Cl)(2)Cl-4{CH2(CO(2)Et)(2)}(2)] 2 was obtained in dichloromethane via the substitution of MeCO(2)Et in 1 by ethyl malonate. During crystallization of 2, under the influence of dioxygen and moisture, the tetrameric compound [{VOCl2[CH2(CO(2)Et)(2)]}(4)]. 2CH(2)Cl(2) 3 was formed. The crystal structures of 1 a nd 3 have been determined by single-crystal X-ray diffraction studies. The dimeric compound 1 exhibits six-co-ordinate V-III centres [separated by a V ... V distance of 3.590(1) Angstrom] surrounded by two terminal Cl atoms, two carbonyl oxygen atoms of co-ordinated ethyl acetate molecules and linked by two bridging Cl atoms. In the tetrameric species 3, the four vanadium(IV) atoms have equivalent octahedral geometries. being bonded by two mutually cis chlorine atoms, two mutually cis carbonyl oxygen atoms of chelate ethyl malonate and two mutually cis oxygen atoms. High catalytic activity was found for 1, 2 and [V-2(mu-Cl)(2)Cl-4(thf)(4)] (thf = tetrahydrofuran).

  DOI：

  10.1039/dt9950001727