[2-(3-methoxy-2-oxidobenzylideneamino)phenolato-κ3O,N,O']dimethylsilicon | 1310805-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑啉
• 英文名称: [2-(3-methoxy-2-oxidobenzylideneamino)phenolato-κ3O,N,O']dimethylsilicon
• 英文别名: [2-(3-methoxy-2-oxidobenzylideneamino)phenolato-kappa^3^O,N,O']dimethylsilicon；4-methoxy-1,1-dimethyl-2,17-dioxa-10-azonia-1-silanuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9,11,13,15-heptaene
• CAS: 1310805-32-3
• 化学式: C₁₆H₁₇NO₃Si
• 分子量: 299.401
• InChiKey: YERKYUKUAFGXCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-2-(((2-hydroxyphenyl)imino)methyl)-6-methoxyphenol 、 二氯二甲基硅烷 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以67%的产率得到[2-(3-methoxy-2-oxidobenzylideneamino)phenolato-κ3O,N,O']dimethylsilicon
  参考文献：
  名称：

  Pentacoordinationversustetracoordination in silicon derivatives of anO,N,O′-tridentate ligand

  摘要：

  Bis[2-(2-hydroxy-3-methoxybenzylideneamino) phenolato-kappa O]dimethylsilicon, C30H30N2O6Si, (II), was isolated from the reaction of 2-(2-hydroxy-3-methoxybenzylideneamino) phenol, (I), with dichlorodimethylsilane at 339 K. It consists of two ligand molecules and the Me2Si unit forming a dialkoxydimethylsilane with a tetracoordinate Si atom. [2-(3-Methoxy-2-oxidobenzylideneamino) phenolato-kappa O-3,N,O'] dimethylsilicon, C16H17NO3Si, (III), was isolated from the same reaction conducted at 263 K. In this complex, the dianion of (I) is coordinated via two O atoms and an azomethine N atom to the pentacoordinate Si atom. According to quantum chemical calculations, (II) is the thermodynamically stable product and (III) is the kinetically favoured product.

  DOI：

  10.1107/s0108270110009285