oxovanadium(VI) 2-(((4-nitrophenyl)oxidomethylene)hydrazineylidene)-4-oxopentan-3-ide hydride propan-2-olate | 324536-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: oxovanadium(VI) 2-(((4-nitrophenyl)oxidomethylene)hydrazineylidene)-4-oxopentan-3-ide hydride propan-2-olate
• CAS: 324536-22-3
• 化学式: C₃H₇O*C₁₂H₁₁N₃O₄*OV
• 分子量: 387.266
• InChiKey: NUAUKDHDWWRJIZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  148.12
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  bis(acetylacetonate)oxovanadium 、 4-硝基苯酰肼 、 异丙醇 在 oxygen 作用下， 以 异丙醇 为溶剂， 以91%的产率得到oxovanadium(VI) 2-(((4-nitrophenyl)oxidomethylene)hydrazineylidene)-4-oxopentan-3-ide hydride propan-2-olate
  参考文献：
  名称：

  Ligand reactivity, substituent effects and solvent interactions in the spectra and structure of some oxovanadium(V) chelates with Schiff bases. Proof for dimeric species

  摘要：

  The reaction of bis(beta -dionato)oxovanadium(IV) chelates, VO beta (2), with substituted benzoylhydrazines, XbhH(2), was explored in alcoholic solutions and oxovanadium(V) compounds with Schiff bases as ligands were obtained in high yield. These VOL(OR) compounds have alkoxide as coligand and the asymmetic tridentate Schiff base ligands, L2-, bind to the oxovanadium core through the carbonyl oxygens and the imine nitrogen. Substituents attached to benzoylhydrazines affect the electron density about the oxovanadium core. While electron attracting substituents appear to favour monomeric square pyramidal chelates, the derivatives having electron repelling groups seem to encourage formation of dimeric structures and alkoxo bridged dimers are obtained. The crystal structures of the products of the reaction of bis(1-phenyl-1,3-butanedionato)oxovanadium VO(bzac)(2), with o-nitrobenzoylhydrazine (o-O(2)NbhH(2)) and m-methoxybenzoylhydrazine (m-CH(3)ObhH(2)) that are reported demonstrate the influence of the substituents as well as the role of the solvent. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00483-6