tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III) | 316188-52-0

• 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: tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)
• 英文别名: Tris(2,6-di-tert-butyl-4-methylphenoxo-) (triphenylphosphine oxide) samarium；2,6-ditert-butyl-4-methylphenolate;diphenylphosphorylbenzene;samarium(3+)
• CAS: 316188-52-0
• 化学式: C₆₃H₈₄O₄PSm
• 分子量: 1086.69
• InChiKey: GQOZDXCLWXTDAG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  14.32
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Samarium,bis[2,6-bis(1,1-dimethylethyl)-4-methylphenolato]tris(tetrahydrofuran)- 、 三苯基氧化膦 以 甲苯 为溶剂， 生成 tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)
  参考文献：
  名称：

  Tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)

  摘要：

  In the title complex, [Sm(C15H23O)(3)(C18H15OP)], the central metal atom is coordinated by three O atoms of the aryloxo ligands and by one O atom of the triphenylphosphine oxide molecule resulting in a distorted tetrahedral geometry. The Sm-O-Ar distances (Ar is aryl) range from 2.122 (2) to 2.190 (2) Angstrom and the Sm-O-PPh3 bond length is 2.306 (2) Angstrom.

  DOI：

  10.1107/s0108270100010192