[Fe(κ²-dppe)(η⁵-C₅Me₅)(CC(m-C₆H₄PPh₂))] | 1351412-26-4

• 英文名称: [Fe(κ²-dppe)(η⁵-C₅Me₅)(CC(m-C₆H₄PPh₂))]
• CAS: 1351412-26-4
• 化学式: C₅₆H₅₃FeP₃
• 分子量: 874.805
• InChiKey: POZDLEYLOYTSQH-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  [Fe(κ²-dppe)(η⁵-C₅Me₅)(CC(m-C₆H₄PPh₂))] 在 potassium selenocyanate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 以85%的产率得到[Fe(κ²-dppe)(η⁵-C₅Me₅)(C≡C-1,3-C₆H₄)]P(Se)Ph₂
  参考文献：
  名称：

  Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ²-dppe)(η⁵-C₅Me₅)C≡C– Substituents

  摘要：

  Five new selenophosphines (5a-d and 7) bearing organometallic Fe(kappa(2)-dppe)(eta(5)-C5Me5)C equivalent to C- substituents were synthesized and structurally characterized in order to determine the steric and electronic parameters of the parent metallo-phosphines (1a-d and 2). Their cone angles were estimated from available structural data, and their electronic parameters were derived from the (1)J(PSe) coupling constants. DFT calculations suggest that (1)J(PSe) constants can be used to determine their electronic parameters in spite of the existence of the low-lying excited states for 5a-d. Strong solvent effects were evidenced on (1)J(PSe), stressing the need to use a single solvent (CDCl3) for measuring these coupling constants if comparison of the electronic parameter of these with existing data is sought. Among the parent metallo-phosphines, 2 appears to be the most electron donating ligand by far. According to its (1)J(PSe) value, it resembles a tris(alkyl)phosphine but presents a significantly larger Tolman cone angle (theta(T) approximate to 172 degrees) than PPh3 (theta(T) approximate to 145 degrees).

  DOI：

  10.1021/om500211e
• 作为产物：
  描述：

  [Fe(κ²-dppe)(η⁵-C₅Me₅)(=C=CH(m-C₆H₄PPh₂))][PF₆] 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以73%的产率得到[Fe(κ²-dppe)(η⁵-C₅Me₅)(CC(m-C₆H₄PPh₂))]
  参考文献：
  名称：

  Triarylphosphine Ligands with Pendant Electron-Rich “[Fe(κ²-dppe)(η⁵-C₅Me₅)(C≡C)]–” Substituents

  摘要：

  The synthesis of four triaylphosphine ligands featuring electron-rich Fe(II) "Fe(kappa(2)-dppe)(eta(5)-C5Me5)C C-" pendant substituents in para and meta position(s) (1-4) is reported along with that of their corresponding radical cations (1- 2[PF6] or 3-4[PF6](3)). These triarylphosphines possessing redox-active organometallic substituents constitute a new class of phosphorus-based metallo-ligands. In contrast to many related ferrocenylphosphines, these metallo-ligands are stable and isolable in two redox-states. Their steric and electronic properties are also briefly discussed.

  DOI：

  10.1021/ic4011828

文献信息

• Stille-type aryl–aryl cross-coupling catalysis using triarylphosphine ligands with electron-rich Fe(ii)-alkynyl substituents
  作者：Guillaume Grelaud、Ayham Tohmé、Gilles Argouarch、Thierry Roisnel、Frédéric Paul

  DOI：10.1039/c1nj20480g

  日期：——

  The synthesis of four new phosphane ligands featuring electron-rich Fe(II) “(η2-dppe)(η5-C5Me5)FeCC-” substituents in para and meta position(s) on the aryl rings (1–4) is reported along with those of the corresponding PdCl2(PAr3)2 precatalysts (7–10). These precatalysts have then been tested in a Stille-type aryl–aryl cross coupling reaction. It is shown that these new ligands survive the reaction conditions and perform at least as well as the classic triphenylphosphine ligand for this transformation.

  报道了四种新磷配体的合成，这些配体具有富电子的Fe(II) “(η2-dppe)(η5-C5Me5)FeCC-”取代基，分别位于芳环的对位和间位（1-4），以及相应的PdCl2(PAr3)2前催化剂（7-10）。这些前催化剂随后在Stille型芳基-芳基交叉偶联反应中进行了测试。结果表明，这些新配体能够耐受反应条件，并且在该转化反应中至少表现得与经典的三苯基磷配体一样好。