[Ir(SOMe2)(HPNPiPr)]BPh4 | 1448845-89-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ir(SOMe2)(HPNPiPr)]BPh4
• 英文别名: [Ir(SOMe₂)(HPNP^iPr)]BPh₄
• CAS: 1448845-89-3
• 化学式: C₂H₆OS*C₁₆H₃₇NP₂*C₂₄H₂₀B*Ir
• 分子量: 895.013
• InChiKey: RWIQNLUKEFSOGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  49.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  双[2-(二异丙基膦基)乙基]胺 、 四苯硼钠 、 [Ir(DMSO)₃Cl] 以 四氢呋喃 为溶剂， 反应 1.0h， 以80%的产率得到[Ir(SOMe2)(HPNPiPr)]BPh4
  参考文献：
  名称：

  Reactivity of iridium(I) PNP amido complexes toward protonation and oxidation

  摘要：

  Iridium PNP amido complex [Ir(PMe3){N((CH2CH2PPr2)-Pr-i)(2)}] (3(PMe3)) was prepared in high yield starting from ethylene amine complex [Ir(C2H4){HN((CH2CH2PPr2)-Pr-i)(2)}]PF6. The high nucleophilicity of the amido nitrogen atom is demonstrated by facile N-methylation with MeOTf. The N-basicity within the series [IrL {N((CH2CH2PPr2)-Pr-i)(2)}] (3(L); L = PMe3, cyclooctene, CO) is quantified by determination of the corresponding amine complex pK(a) values. Examination of chemical and electrochemical oxidation of 3(L) point toward decomposition of the primary oxidation product by ligand centered disproportionation. The strong dependence of the basicity and oxidation potentials on the nature of L is rationalized on the basis of 3c-4e N-M-L pi-interactions. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.04.022