Zn(2,4,6,8-tetra(tert-butyl)-9-hydroxyphenoxazin-1-one-H)2 | 1239227-14-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Zn(2,4,6,8-tetra(tert-butyl)-9-hydroxyphenoxazin-1-one-H)2
• 英文别名: zinc complex of 2,4,6,8-tetra-(tert-butyl)-9-hydroxyphenoxazin-1-one
• CAS: 1239227-14-5
• 化学式: C₅₆H₇₆N₂O₆Zn
• 分子量: 938.619
• InChiKey: HYOPOTBSXPYUEY-UHFFFAOYSA-L

物化性质

• 熔点：
  295 °C

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  zinc(II) chloride 、 2,4,6,8-tetra-tert-butyl-9-hydroxy-1H-phenoxazin-1-one 以 甲醇 为溶剂， 以77%的产率得到Zn(2,4,6,8-tetra(tert-butyl)-9-hydroxyphenoxazin-1-one-H)2
  参考文献：
  名称：

  Synthesis, chemical properties, and crystal structure of 2,4,6,8-tetra(tert-butyl)-9-hydroxyphenoxazin-1-one

  摘要：

  二（叔丁基）衍生物与2,6-二羟基苯胺的反应生成了2,4,6,8-四（叔丁基）-9-羟基苯氧噻嗪-1-酮。研究了反应产物的化学性质及其作为三齿配体与金属盐形成配合物的能力。通过X射线衍射确定了羟基苯氧噻嗪酮的结构。

  DOI：

  10.1007/s11172-009-0182-4

文献信息

• Synthesis and redox activity of the ruthenium complexes based on 9-hydroxy-2,4,6,8-tetra-(tert.-butyl)phenoxazin-1-one ligands
  作者：Eugeny P. Ivakhnenko、Pavel A. Knyazev、Konstantin A. Lyssenko、Andrey G. Starikov、Vladimir I. Minkin

  DOI：10.1016/j.ica.2018.09.075

  日期：2019.1

  The redox-active bis-chelate hexacoordinate ruthenium complex 2 Ru(ONO)(2) comprising two redox-active 2,4,6,8-tetrakis(tert.-butyl)-9-hydroxyphenoxazin-1-one ligands 1 was synthesized by coupling ruthenium trichloride with 1 or its thallium salt. Reduction of 2 with zinc amalgam produces its radical-anion 2a, which readily reacts with pyridine in aerobic conditions resulting in substitution of one of the tridentate hydroxyphenoxazinone ligand by three pyridine molecules and the formation of a salt of tris(pyridine)(tetra-(tert.-butyl)oxyphenoxazin-1-onate) Ru(II) cation 5. The structure of this salt was established by X-ray crystallography and its redox activity investigated using cyclic voltammetry. The mechanism of the Ru-III/Ru-II conversion observed in this reaction was suggested based on the data of ESR, UV-Vis spectra and DFT B3LYP/6-311 + + G(d,p)/SDD calculations.
• Ivakhnenko, Eugeny P.; Starikov, Andrey G.; Minkin, Vladimir I., Inorganic Chemistry, <hi>2011</hi>, vol. 50, p. 7022 - 7032
  作者：Ivakhnenko, Eugeny P.、Starikov, Andrey G.、Minkin, Vladimir I.、Lyssenko, Konstantin A.、Antipin, Mikhail Yu.、et al.

  DOI：——

  日期：——