| 1098071-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1098071-24-9
• 化学式: C₇₅H₉₅N₂*Cl
• 分子量: 1060.05
• InChiKey: LJICQZYAJGAKBB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  17.96
• 重原子数：
  78.0
• 可旋转键数：
  6.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 在 Ag₂O 作用下， 以 二氯甲烷 为溶剂， 以36%的产率得到
  参考文献：
  名称：

  Flexible, Bowl-Shaped N-Heterocyclic Carbene Ligands: Substrate Specificity in Iridium-Catalyzed Ketone Hydrosilylation

  摘要：

  A series of benzimidazolium chlorides was synthesized as precursors to N-heterocyclic carbene ligands, with N-substituents varying in size from 3,5-xylyl (1a) to first-generation dendritic 3,5-bis(3,5-di-tert-butylphenyl)phenyl (1b), to the second-generation 3,5-bis[3,5-bis(3,5-di-tert-butylphenyl)phenyl]phenyl (1c). The dendritic side groups of 1b and 1c form a flexible, bowl-like cavity. Iridium complexes of 1a-c were synthesized and were shown to be catalytically active for the hydrosilylation of aryl methyl ketones. The dendritic ligands 1b and 1c effect a moderate level of substrate specificity in the competitive hydrosilylation of ketones of varying size. In the competitive hydrosilylation of acetophenone versus 3-(3,5-di-tert-butylphenyl)acetophenone, acetophenone is consumed approximately 3.7 times more quickly using the second-generation ligand 1c. Using the control ligand la, this ratio is 1.8.

  DOI：

  10.1021/om800878m