(η2-Ph2PCH2CH2PPh2)(η5-C5Me5)Fe-CC-C6H4-4-CHO | 949004-45-9

• 英文名称: (η2-Ph2PCH2CH2PPh2)(η5-C5Me5)Fe-CC-C6H4-4-CHO
• CAS: 949004-45-9
• 化学式: C₄₅H₄₄FeOP₂
• 分子量: 718.638
• InChiKey: VJPDLZPGFQKSQD-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  (η2-Ph2PCH2CH2PPh2)(η5-C5Me5)Fe-CC-C6H4-4-CHO 、 甲基三苯基溴化膦 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 17.0h， 以88%的产率得到Fe(κ²-dppe)(η⁵-C₅Me₅){C≡C(1,3-C₆H₄)CH=CH₂}
  参考文献：
  名称：

  Synthesis and Characterization of Redox-Active Mononuclear Fe(κ²-dppe)(η⁵-C₅Me₅)-Terminated π-Conjugated Wires

  摘要：

  Several new redox-active Fe(kappa(2)-dppe)(eta(5)-C5Me5) arylacetylide complexes featuring pendant ethynyl (Fe(kappa(2)-dppe)(eta(5)-C5Me5)-[{C equivalent to C(1,4-C6H4)}(n)C equivalent to CH] (1b-d; n = 1-3), Fe(kappa(2)-dppe)(eta(5)-C5Me5)[C equivalent to C(1,3-C6H4)C equivalent to CH] (2)) or ethenyl (Fe(kappa(2)-dppe)(eta(5)-C5Me5)[CE equivalent to C(1,4-C6H4)CH equivalent to CH2] (3)) groups have been synthesized and characterized under their Fe(II) and Fe(III) states. In contrast to the known ethynyl Fe(III) complex [Fe(kappa(2)-dppe)(eta(5)-C5Me5)(C7 equivalent to CH)][PF6] (1a[PF6]), most of the new Fe(III) derivatives turned out to be kinetically stable in solution. A consistent picture of the electronic structure of the latter complexes in both redox states emerged from experimental data and DFT calculations. This study revealed that beyond the first 1,4-phenylene ring, modification or extension of the carbon-rich linker using (4-phenylene)ethynylene spacers will have only a minor influence on their electronic properties in their ground state, while still maintaining some (weak) electronic interaction along the carbon-rich backbone.

  DOI：

  10.1021/om400515g
• 作为产物：
  描述：

  [Fe(pentamethylcyclopentadienyl)(CO)₂Cl] 、 4-乙炔基苯甲醛 、 1,2-双(二苯基膦)乙烷 在 DBU 作用下， 以 甲醇 为溶剂， 以28%的产率得到(η2-Ph2PCH2CH2PPh2)(η5-C5Me5)Fe-CC-C6H4-4-CHO
  参考文献：
  名称：

  One-Pot Synthesis of Mononuclear Iron Alkynyl Complexes by Photolysis

  摘要：

  A new access to organoiron complexes of type (dppe)Cp*Fe-C C- Ar the easily prepared precursor (CO)(2)Cp*FeCl (5) is de.vcribed. This direct one-pot transformation realized upon UV irradiation is illustrated by various aromatic alkynes. A mechanism is also proposed for this reaction via the key intermediate[dppe)Cp*Fe(CO)][PF6](6).

  DOI：

  10.1021/om100665u