| 1019852-23-3

• CAS: 1019852-23-3
• 化学式: C₁₆H₂₆N₂O₂RhS*F₆P
• 分子量: 558.33
• InChiKey: MEYIOLMETKODPF-RGFWRHHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 KOC(CH₃)3 作用下， 以 四氢呋喃 为溶剂， 以90.1%的产率得到
  参考文献：
  名称：

  Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium

  摘要：

  The new pyridine-based sulfoxide pincer ligand 1 (2-(diethylaminomethyl)-6-(tert-butylsulfinylmethyl)pyridine = S(O)NN) reacts cleanly with Rh(2)(COE)(4)Cl(2) to form the neutral water- and air-stable Rh(I) complex [Rh(S(O)NN)(NCCH(3))], 1. The cationic complexes [Rh(S(O)NN(NCCH(3))][BF(4)] (2) and [Ir(S(O)NN)(COE)][BF(4)] (5) were obtained by the reaction of 1 with the appropriate metal precursors. The corresponding carbonyl complexes [Rh(S(O)NN)(CO)][PF(6)] (4) and [Ir(S(O)NN)(CO)][BF(4)] (7) exhibit nu CO in the IR spectra that shows that ligand I is a relatively poor a-donor ligand compared to the more common PNP-type ligands, resulting in rather electron-poor metal centers. The carbonyl compounds can be deprotonated to the remarkably stable dearomatized complexes Rh(S(O)NN*)(CO) (8) and Ir(S(O)NN*)(CO) (9). DFT studies on 8 revealed a high electron delocalization over the pyridine ring system and the sulfur atom, which explains the high stability of 8 toward reprotonation. Complete protonation of 8 was achieved in acetic acid.

  DOI：

  10.1021/om701276s
• 作为产物：
  描述：

  thallium(I) hexafluorophosphate 、 、 一氧化碳 以 丙酮 为溶剂， 以83.3%的产率得到
  参考文献：
  名称：

  Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium

  摘要：

  The new pyridine-based sulfoxide pincer ligand 1 (2-(diethylaminomethyl)-6-(tert-butylsulfinylmethyl)pyridine = S(O)NN) reacts cleanly with Rh(2)(COE)(4)Cl(2) to form the neutral water- and air-stable Rh(I) complex [Rh(S(O)NN)(NCCH(3))], 1. The cationic complexes [Rh(S(O)NN(NCCH(3))][BF(4)] (2) and [Ir(S(O)NN)(COE)][BF(4)] (5) were obtained by the reaction of 1 with the appropriate metal precursors. The corresponding carbonyl complexes [Rh(S(O)NN)(CO)][PF(6)] (4) and [Ir(S(O)NN)(CO)][BF(4)] (7) exhibit nu CO in the IR spectra that shows that ligand I is a relatively poor a-donor ligand compared to the more common PNP-type ligands, resulting in rather electron-poor metal centers. The carbonyl compounds can be deprotonated to the remarkably stable dearomatized complexes Rh(S(O)NN*)(CO) (8) and Ir(S(O)NN*)(CO) (9). DFT studies on 8 revealed a high electron delocalization over the pyridine ring system and the sulfur atom, which explains the high stability of 8 toward reprotonation. Complete protonation of 8 was achieved in acetic acid.

  DOI：

  10.1021/om701276s