(η5-C5Me5)IrCl2(5-(4-pyridyl)dipyrromethane) | 1221969-32-9

• 英文名称: (η5-C5Me5)IrCl2(5-(4-pyridyl)dipyrromethane)
• 英文别名: (η5-C5Me5)IrCl2(4-dpmane)
• CAS: 1221969-32-9
• 化学式: C₂₄H₂₈Cl₂IrN₃
• 分子量: 621.632
• InChiKey: VSKLXNKCNOEENM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 4-[二(1H-吡咯-2-基)甲基]吡啶 以 二氯甲烷 为溶剂， 以75%的产率得到(η5-C5Me5)IrCl2(5-(4-pyridyl)dipyrromethane)
  参考文献：
  名称：

  Synthesis and characterization of complexes imparting N-pyridyl bonded meso-pyridyl substituted dipyrromethanes

  摘要：

  The meso-pyridyl substituted dipyrromethane ligands 5-(4-pyridyl)dipyrromethane (4-dpmane) and 5(3-pyridyl)dipyrromethane (3-dpmane) have been employed in the synthesis of a series of complexes with the general formulations [(eta(6)-arene)RuCl2(L)] (eta(6)-arene = C6H6, C10H14) and [(eta(5)-C5Me5)MCl2(L)] (M = Rh, Ir). The reaction products have been characterized by microanalyses and spectral studies and molecular structures of the complexes [(eta(6)-C10H14)RuCl2(4-dpmane)] and [(eta(5)-C5Me5)IrCl2(3-dpmane)] have been determined crystallographically. For comparative studies, geometrical optimization have been performed on the complex [(eta(5)-C5Me5)IrCl2(4-dpmane)] using exchange correlation functional B3LYP. Optimized bond length and angles are in good agreement with the structural data of the complex [(eta(5)-C5Me5)IrCl2(3-dpmane)]. The complexes [(eta(6)-C10H14)RuCl2(3-dpmane)], [(eta(5)-C5Me5)RhCl2(3-dpmane)] and [(eta(5)-C5Me5)IrCl2(3-dpmane)] have been employed as a transfer hydrogenation catalyst in the reduction of aldehydes. It was observed that the rhodium and iridium complexes mentioned above are more effective in this regard in comparison to the ruthenium complex. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.006