Lithium;2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine | 1186508-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Lithium;2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine
• 英文别名: lithium;2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine
• CAS: 1186508-13-3
• 化学式: C₂₁H₁₅N₂*Li
• 分子量: 302.304
• InChiKey: DHZBLNANIPWWKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 Lithium;2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine 以 苯 为溶剂， 以34%的产率得到
  参考文献：
  名称：

  High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand

  摘要：

  New rhodium and iridium complexes containing the bidentate ligand 3,5-diphenyl-2-(2-pyridyl)pyrrolide (PyPyr) were prepared. The bis(ethylene) complex (PyPyr)Rh(C2H4)(2) (3) reacted with HSiEt3, HSiPh3, and (HSiBuPh2)-Bu-t to produce the 16-electron Rh(V) bis(silyl)dihydrides (PyPyr)Rh(H)(2)(SiEt3)(2) (8), (PyPyr)Rh(H)(2)(SiPh3)(2) (9), and (PyPyr)Rh(H)(2)((SiBuPh2)-Bu-t)(2) (10), respectively. The analogous Ir(V) bis(silyl)dihyride (PyPyr)Ir(H)(2)(SiPh3)(2) (11) has also been synthesized. X-ray crystallography reveals that 9-11 adopt a coordination geometry best described as a bicapped tetrahedron. Silane elimination from 9 and 10 occurred in the presence of either HSiEt3 or PPh3. Mechanistic studies of the silane exchange process involving 10 and free HSiEt3 (to give 8) indicate that this process occurs by rate-limiting reductive elimination of (HSiBuPh2)-Bu-t from 10 to generate a 14-electron Rh(III) intermediate of the type (PyPyr)Rh(H)((SiBuPh2)-Bu-t).

  DOI：

  10.1021/ja9035169

文献信息

• High Oxidation State Rhodium and Iridium Bis(silyl)dihydride Complexes Supported by a Chelating Pyridyl-Pyrrolide Ligand
  作者：Jennifer L. McBee、Jose Escalada、T. Don Tilley

  DOI：10.1021/ja9035169

  日期：2009.9.9

  New rhodium and iridium complexes containing the bidentate ligand 3,5-diphenyl-2-(2-pyridyl)pyrrolide (PyPyr) were prepared. The bis(ethylene) complex (PyPyr)Rh(C2H4)(2) (3) reacted with HSiEt3, HSiPh3, and (HSiBuPh2)-Bu-t to produce the 16-electron Rh(V) bis(silyl)dihydrides (PyPyr)Rh(H)(2)(SiEt3)(2) (8), (PyPyr)Rh(H)(2)(SiPh3)(2) (9), and (PyPyr)Rh(H)(2)((SiBuPh2)-Bu-t)(2) (10), respectively. The analogous Ir(V) bis(silyl)dihyride (PyPyr)Ir(H)(2)(SiPh3)(2) (11) has also been synthesized. X-ray crystallography reveals that 9-11 adopt a coordination geometry best described as a bicapped tetrahedron. Silane elimination from 9 and 10 occurred in the presence of either HSiEt3 or PPh3. Mechanistic studies of the silane exchange process involving 10 and free HSiEt3 (to give 8) indicate that this process occurs by rate-limiting reductive elimination of (HSiBuPh2)-Bu-t from 10 to generate a 14-electron Rh(III) intermediate of the type (PyPyr)Rh(H)((SiBuPh2)-Bu-t).