| 1196663-01-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1196663-01-0
• 化学式: C₂₂H₃₅BrO₃
• 分子量: 427.422
• InChiKey: LBXOYRPRUFSNND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.22
• 重原子数：
  26.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  在 溴 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Mechanistic Studies on Ni(dppe)Cl₂-Catalyzed Chain-Growth Polymerizations: Evidence for Rate-Determining Reductive Elimination

  摘要：

  The mechanisms for Ni(dppe)Cl-2-catalyzod chain-growth polymerization of 4-bromo-2,5-bis(hexyloxy)phenyl magnesium chloride and 5-bromo-4-hexylthiophen-2-ylmagnesium chloride were investigated. Rate studies utilizing IR spectroscopy and gas chromatography revealed that both polymerizations exhibit a first-order dependence on the catalyst concentration but a zeroth-order dependence on the monomer concentration. P-31 NMR spectroscopic studies of the reactive organometallic intermediates suggest that the resting states are unsymmetrical Ni-II-biaryl and Ni-II-bithiophene complexes. In combination, the data implicate reductive elimination as the rate-determining step for both monomers. Additionally, LiCl was found to have no effect on the rate-determining step or molecular weight distribution in the arene polymerization.

  DOI：

  10.1021/ja904197q