| 53505-20-7

• CAS: 53505-20-7
• 化学式: C₁₈H₂₀IrN₂*Cl
• 分子量: 492.043
• InChiKey: INOKXALNRLJINI-ONEVTFJLSA-M

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

• 作为产物：
  描述：

  2,2'-联吡啶 、 (1,5-cyclooctadiene)chloro(2-picoline)iridium(I) 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Louw, Wynand J.; Hepner, Carol E., Inorganic Chemistry, 1980, vol. 19, # 1, p. 7 - 11

  摘要：

  DOI：

文献信息

• Oxidative Coordination versus C ³ −C(O)Me Bond Cleavage in Acetylacetonate Iridium Complexes
  作者：Christopher E. Rivas、Jose C. Alvarado‐Monzon、Gerardo Gonzalez‐Garcia、J. Oscar C. Jimenez‐Halla、Jesus Rangel‐Garcia、Crispin Cristobal、Jorge A. Lopez

  DOI：10.1002/chem.202100709

  日期：2021.6.10

  been achieved in the reaction with [Ir(Cl)(dmb)2] (dmb=2,3-dimethylbutadiene), yielding a compound formulated as [Irκ2-N,C-(pyC(H)C(C(O)Me))}(CO)(μ-Cl)(Me)]2, 2. Treatment of dimer 2 with DMSO or PMe3 produced the complexes[Irκ2-N,C-(pyC(H)C(C(O)Me)}(CO)Cl(Me)L] (L=DMSO, 3 a; PMe3, 3 b). Plausible mechanisms for the reactions leading to complexes 1 and 2 are proposed by means of DFT calculations.

  Iridabicycles [Irκ 3 -N,C,O-(pyC(H)=C(C(O)Me) 2 }(Cl)(L−L)](L−L=cod (cod=1,5 -环辛二烯), 1 a ; bipy (bipy=2,2'- bipyridine), 1 b ) 已通过 3-(pyridine-2-yl-methylene)pentane-2,4-dione L1的氧化配位获得，以复合物 [Ir(μ-Cl)(cod)} 2 ] 和 [Ir(μ-Cl)(coe) 2 } 2 ] (coe= cis -cyclooctene)，后者在 bipy 的存在下。值得注意的是，L1的 C 3 -C(O)Me 键的裂解是在与 [Ir(Cl)(dmb) 2 ] (dmb=2,3-二甲基丁二烯) 的反应中实现的，产生一种化合物 [Ir κ2 -N,C-(pyC(H)C(C(O)Me))}(CO)(μ-Cl)(Me)]
• Iridium-Catalyzed C–H Borylation of Heterocycles Using an Overlooked 1,10-Phenanthroline Ligand: Reinventing the Catalytic Activity by Understanding the Solvent-Assisted Neutral to Cationic Switch
  作者：Carin C. C. Johansson Seechurn、Vilvanathan Sivakumar、Deepak Satoskar、Thomas J. Colacot

  DOI：10.1021/om500420d

  日期：2014.7.14

  The preformed catalyst [Ir(Cl)(COD)(1,10-phenanthroline)] (2; COD = cyclooctadiene) was found to be highly effective in a model reaction for the borylation of N-Boc-indole at the 3-position with B(2)pin(2) (pin = pinacolato) as the borylating agent to give consistently 99% yield with 0.5 mol % catalyst loading. The corresponding in situ formed catalyst from [Ir(Cl)(COD)](2) and 1,10-phenanthroline provided very inconsistent results for the same reaction (0-94% conversion). We propose this to be due to the competing formation of a catalytically inactive cationic complex, [Ir(COD)(1,10-phenanthroline)]Cl-+(-) (1), in a noncoordinating solvent such as octane. Complexes 1 and 2 were characterized using solid-state NMR (C-13 and Cl-35) in conjunction with XPS to be cationic and neutral, respectively. The X-ray crystal structure of a pentavalent neutral Ir complex, [Ir(Cl)(COD)(2,2'-bipyridine)] (3), was also obtained for comparison purposes. Using catalyst 2, the total synthesis of Meridianin G was accomplished in 87% overall isolated yield in a one-pot, three-step process.