| 471296-69-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 471296-69-2
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: RBTVRGOGHQXLNL-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  85.41
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  以 四氢呋喃 、 氘代二甲亚砜 为溶剂， 生成 2,2'-([1-(3-hydroxypropyl)-1,2-ethanediyl]bis(nitrilomethylidyne))diphenolato(2-)cobalt(III) iodide
  参考文献：
  名称：

  Bridged (alkoxo)CoIII(salen) complexes: synthesis and structure

  摘要：

  The preparation and oxygenation of Co-II(salen) complexes 2a-d whose ethanediyl moieties carry an omega-hydroxyalkyl pendant arm is reported. Air oxidation of 2a gives bridged (alkoxo)Co-III(salen) complex la with a planar salen ligand. Upon aeration of 2b in MeOH, monomeric bridged complex 1b with a planar salen ligand precipitates, whereas in CH,Cl, a dimeric bridged complex 1b' with twisted-salen ligands is obtained and characterized by X-ray crystallography. Formation of a bridged (alkoxo)Coll(salen) complex upon aeration of 2c is probably followed by beta-elimination. The tert-butyl substituted oxidation product of 2d is paramagnetic in non-coordinating and diamagnetic in coordinating solvents, supporting the concept that the salen moiety of (alkoxo)Co-III(salen) complexes can have either a planar or a twisted geometry depending on the solvent and the solid state properties. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00831-9