(S)-2-(3-benzylimidazolium-1-yl)-2'-hydroxy-1,1'-binaphthyl hexafluorophosphate | 864656-27-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (S)-2-(3-benzylimidazolium-1-yl)-2'-hydroxy-1,1'-binaphthyl hexafluorophosphate
• 英文别名: 1-[2-(3-Benzylimidazol-3-ium-1-yl)naphthalen-1-yl]naphthalen-2-ol;hexafluorophosphate
• CAS: 864656-27-9
• 化学式: C₃₀H₂₃N₂O*F₆P
• 分子量: 572.49
• InChiKey: DHOUBBUKGJCSTP-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.87
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  29
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 (S)-2-(3-benzylimidazolium-1-yl)-2'-hydroxy-1,1'-binaphthyl hexafluorophosphate 在 lithium tert-butoxide 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  Axially Chiral Bidentate N-Heterocyclic Carbene Ligands Derived from BINAM:  Rhodium and Iridium Complexes in Asymmetric Ketone Hydrosilylation

  摘要：

  New bis(N-heterocyclic carbene) and N-heterocyclic carbene-naphthoxy ligands are synthesized in two steps from (S)-1,1'-diamino-2,2'-binaphthyl. Rhodium and iridium complexes of the carbene-naphthoxy ligands were applied to the catalytic asymmetric hydrosilylation of acetophenone with diphenylsilane. Low enantioselectivities (12-13% ee) were observed for the rhodium-catalyzed reaction, but moderate enantioselectivities (50-60% ee) were seen for iridium.

  DOI：

  10.1021/om050323+