(η5-C5Me5)Ir(2-Spy)(N3) | 870821-38-8

• 英文名称: (η5-C5Me5)Ir(2-Spy)(N3)
• 英文别名: [(pentamethylcyclopentadienyl)Ir(2-pyridinethiolate)(N3)]
• CAS: 870821-38-8
• 化学式: C₁₅H₁₉IrN₄S
• 分子量: 479.629
• InChiKey: IZTWJZNSSSULOJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (η5-C5Me5)Ir(2-Spy)(N3) 、 sodium azide 以 乙腈 为溶剂， 以65%的产率得到(η5-C5Me5)Ir(1-N-2-Spy)
  参考文献：
  名称：

  Structure and Reactivity of a Pyridine-1-imido-2-thiolato Complex of Iridium(III), Cp*Ir(1-N-2-Spy), Generated by Photolysis of the (Azido)(pyridine-2-thiolato) Complex, Cp*Ir(2-Spy)(N₃)

  摘要：

  Photolysis of the (azido)(pyrdine-2-thiolato)iridium(III) complex Cp*lr(2-Spy)(N-3) (1) gave a pyridine-1-imido-2-thiolato complex, Cp*lr(1-N-2-Spy) (2), in which one of the nitrogen atoms of the azide ligand has been inserted into the lr-N(py) bond (Cp* = eta(5)-C5Me5). Complex 2 reacted quantitatively with methyl iodide to give the N-methylated product, [Cp*lr(1-NMe-2-Spy)]l (3). X-ray crystallography revealed that both 2 and 3 have similar two-legged piano stool structures with planar 1-N-2-Spy(2-) or 1-NMe-2(-)Spyligands, which form iridacyclopentadienyl-like rings by moderate S(p pi)/N(p pi) to lr(d pi) pi donation.

  DOI：

  10.1021/ic051097z
• 作为产物：
  描述：

  Cp*Ir(2-Spy)Cl 、 sodium azide 以 甲醇 为溶剂， 以82%的产率得到(η5-C5Me5)Ir(2-Spy)(N3)
  参考文献：
  名称：

  Structure and Reactivity of a Pyridine-1-imido-2-thiolato Complex of Iridium(III), Cp*Ir(1-N-2-Spy), Generated by Photolysis of the (Azido)(pyridine-2-thiolato) Complex, Cp*Ir(2-Spy)(N₃)

  摘要：

  Photolysis of the (azido)(pyrdine-2-thiolato)iridium(III) complex Cp*lr(2-Spy)(N-3) (1) gave a pyridine-1-imido-2-thiolato complex, Cp*lr(1-N-2-Spy) (2), in which one of the nitrogen atoms of the azide ligand has been inserted into the lr-N(py) bond (Cp* = eta(5)-C5Me5). Complex 2 reacted quantitatively with methyl iodide to give the N-methylated product, [Cp*lr(1-NMe-2-Spy)]l (3). X-ray crystallography revealed that both 2 and 3 have similar two-legged piano stool structures with planar 1-N-2-Spy(2-) or 1-NMe-2(-)Spyligands, which form iridacyclopentadienyl-like rings by moderate S(p pi)/N(p pi) to lr(d pi) pi donation.

  DOI：

  10.1021/ic051097z

文献信息

• Sulfur-Bonded 2-Methylthiopyridine (2-MeSpy) Complex of Iridium(III). Crystal Structure of [Cp^*IrI₂(2-MeSpy-κ<i>S</i>)] (Cp^*= η⁵-C₅Me₅)
  作者：Yusuke Sekioka、Takayoshi Suzuki

  DOI：10.1246/bcsj.79.1897

  日期：2006.12

  A reaction of [Cp*Ir(2-Spy)(N3)] (Cp* = pentamethylcyclopentadienyl; 2-Spy = 2-pyridinethiolate) with two equivalents of methyl iodide afforded the diiodo complex bearing 2-MeSpy, [Cp*IrI2(2-MeSpy)] (3). From X-ray crystallography and IR spectroscopy, the S atom of 2-MeSpy is coordinated to the metal ion in the solid state. In CD2Cl2, complex 3 exhibited a dissociation equilibrium of 2-MeSpy similar to the corresponding thioanisole complex of [Cp*IrI2(MeSPh)].

  [Cp*Ir(2-SPy)(N3)]（Cp* = 五甲基环戊二烯；2-SPy = 2-吡啶硫醇）与等摩尔量的甲基碘反应，生成带有2-MeSPy的二碘络合物[Cp*IrI2(2-MeSPy)]（3）。根据X射线晶体学和红外光谱学，2-MeSPy的S原子在固态下与金属离子配位。在CD2Cl2中，络合物3表现出与[Cp*IrI2(MeSPh)]的相应硫代苯甲醚络合物类似的2-MeSPy解离平衡。