[VO(OC6H3(CH2NMe2)-2-OMe-4)2] | 244201-86-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [VO(OC6H3(CH2NMe2)-2-OMe-4)2]
• CAS: 244201-86-3
• 化学式: C₂₀H₂₈N₂O₅V
• 分子量: 427.394
• InChiKey: XGENJZONEKIIHP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  bis(tetrahydrofurane)oxovanadium(IV) dichloride 、 2-[(二甲基氨基)甲基]-4-甲氧基苯酚 在 Et₃N 作用下， 以 乙醚 为溶剂， 以33%的产率得到[VO(OC6H3(CH2NMe2)-2-OMe-4)2]
  参考文献：
  名称：

  Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes:  Electronic Effect of Meta and Para Substituents on the Vanadium Center

  摘要：

  A series of O,N-chelated vanadium(IV) oxo bis(phenolate) complexes (1a-i) have been prepared from [VOCl2(THF)(2)] and several ortho-amino-functionalized phenols in the presence of a base. The intermediates in the synthesis of these compounds are mono(phenolato)vanadate complexes, as was shown by the reaction of [VOCl2(THF)(2)] with 1 equiv of HOC6H2(CH2NMe2)(2)-2,6-Me-4 in the absence of base. This yielded [VOCl2(OC6H2(CH2NMe2)2-Me-4-(CH2NHMe2)-6)] (2), in which the second amine function acts as an internal base, assisting in binding the formed equivalent of HCl. Complex 2 exists in the solid state as the dichlorovanadate(IV) species with the protonated amine function forming a three-centered intramolecular hydrogen bridge in which both a chloride atom and the oxygen atom of the phenolate ligand participate. EPR, UV-vis, and cyclic voltammetry analysis of the complexes with meta or para substituents (1a-g) on the aryloxy ring showed the hyperfine coupling constant, the HOMO-LUMO transition, and the oxidation potential, respectively, to be linearly related to the Hammett sigma constants of the substituents on the monoanionic aryloxy ring. The oxidation potential shows a large dependence (dE(ox)/d sigma = 170 mV (per phenoxy ligand)) on the Hammett constant. Crystal data: 1a, orthorombic, Pbca, a = 9.4321(7) Angstrom, b = 14.1919(14) Angstrom, c = 26.5484(14) Angstrom, V = 3553.8(5), Angstrom(3), Z = 8; 2, monoclinic, C2/c, a = 17.9977(15) Angstrom, b = 15.7445(9) Angstrom, c = 14.4986(6) Angstrom, beta = 113.206(5)degrees, V = 3776.0(4) Angstrom(3), Z = 4.

  DOI：

  10.1021/ic9901564