| 1519018-99-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1519018-99-5
• 化学式: C₂₅H₂₇N₂*F₆P
• 分子量: 500.467
• InChiKey: GCERHYTXOHGEAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.81
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 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：

  、 chloro(1,5-cyclooctadiene)rhodium(I) dimer 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 以59%的产率得到
  参考文献：
  名称：

  A Pyrene-Based N-Heterocyclic Carbene: Study of Its Coordination Chemistry and Stereoelectronic Properties

  摘要：

  A new pyrene-N-heterocyclic carbene ligand has been obtained and coordinated to rhodium and iridium, affording the corresponding [MCl(NHC)(COD)] and [MCl(NHC)(CO)(2)] complexes (M = Ir, Rh). The presence of the pyrene backbone allows the introduction of a eta(6)-bonded [RuCp](+) fragment and facilitates the formation of the corresponding heterometallic complexes of Rh/Ru and Ir/Ru. The stereoelectronic properties of the new ligand have been studied by means of IR spectroscopy and cyclic voltammetry and demonstrate that the introduction of the [RuCp](+) fragment results in the reduction of the electron-donating power of the ligand.

  DOI：

  10.1021/om401134w
• 作为产物：
  描述：

  芘-4,5-二酮 在 ammonium hexafluorophosphate 、 ammonium acetate 、 溶剂黄146 、 potassium hydroxide 作用下， 以 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 79.0h， 生成
  参考文献：
  名称：

  A Pyrene-Based N-Heterocyclic Carbene: Study of Its Coordination Chemistry and Stereoelectronic Properties

  摘要：

  A new pyrene-N-heterocyclic carbene ligand has been obtained and coordinated to rhodium and iridium, affording the corresponding [MCl(NHC)(COD)] and [MCl(NHC)(CO)(2)] complexes (M = Ir, Rh). The presence of the pyrene backbone allows the introduction of a eta(6)-bonded [RuCp](+) fragment and facilitates the formation of the corresponding heterometallic complexes of Rh/Ru and Ir/Ru. The stereoelectronic properties of the new ligand have been studied by means of IR spectroscopy and cyclic voltammetry and demonstrate that the introduction of the [RuCp](+) fragment results in the reduction of the electron-donating power of the ligand.

  DOI：

  10.1021/om401134w

文献信息

• Experimental and Theoretical Approaches to the Influence of the Addition of Pyrene to a Series of Pd and Ni NHC-Based Complexes: Catalytic Consequences
  作者：Hugo Valdés、Macarena Poyatos、Gregori Ujaque、Eduardo Peris

  DOI：10.1002/chem.201404618

  日期：2015.1.19

  A series of Ni and Pd complexes with three different N‐heterocyclic carbene (NHC)‐based ligands (imidazolylidene, benzimidazolylidene and pyrene–imidazolylidene) has been prepared and fully characterized. The influence of the addition of pyrene to solutions containing these complexes is studied by means of NMR and UV/Vis spectroscopies and by cyclic voltammetry. The addition of pyrene to the pyrene–NHC‐containing

  制备了一系列具有三种不同的基于N-杂环卡宾（NHC）的配体（咪唑基，苯并咪唑基和and-咪唑基）的Ni和Pd配合物。通过NMR和UV / Vis光谱学以及通过循环伏安法研究了向含有这些络合物的溶液中添加of的影响。to到含NHC的Pd和Ni络合物中的加成通过pyr与NHC配体的group基之间的π-π堆积相互作用而形成加合物。如镍-NHC络合物的循环伏安研究所示，这种相互作用导致金属的电子性质发生改变。理论计算支持这种类型的π相互作用，并证明与含–-NHC的配合物之间存在较高的相互作用。在Suzuki-Miyaura C中测试了复合物的催化活性C偶联和酮的α-芳基化。of作为外部π堆积添加剂的添加不会影响Suzuki-Miyaura偶联中络合物的活性，但是由于该过程被异质催化（如汞滴所示），因此这种观察可能是合理的测试。在酮的催化α-芳基化反应中添加of会导致the-咪唑基亚钯钯配合物催