[PhB(CH2P(CH2Cy)2)3]Fe(methyl) | 1178511-29-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [PhB(CH2P(CH2Cy)2)3]Fe(methyl)
• 英文别名: [PhB(CH2P(CH2Cy)2)3]Fe(Me)
• CAS: 1178511-29-9
• 化学式: C₅₂H₉₂BFeP₃
• 分子量: 876.882
• InChiKey: YTOLDNGQDHRXQO-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：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [PhB(CH2P(CH2Cy)2)3]Fe(methyl) 、 肼 以 四氢呋喃 为溶剂， 生成 ([PhB(CH2P(CH2C6H11)2)3]2Fe)2(μ-η1:η1-N2H4)(μ-η2:η2-N2H2)
  参考文献：
  名称：

  Characterization of Structurally Unusual Diiron N_xH_y Complexes

  摘要：

  A series of fascinating diiron complexes featuring bridging NxHy ligands stabilized by tris(phosphine)borate ([PhB(CH2PR2)(3)] = [PhBP3R]) ligands have been characterized. Hydrazine activation by [PhBP3R]Fe-Me (R = Ph or cyclohexylmethyl) leads to diiron Fe-2(mu-eta(1):eta(1)-N2H4) (mu-eta(2):eta(2)-N2H2) complexes featuring both bridging hydrazine and hydrazido ligands. Thermolysis of {[PhBP23CHCy]Fe}(2)(mu-eta(1):eta(1)-N2H4) (mu-eta(2):eta(2)-N2H2) at 22 degrees C leads to a structurally unusual {[PhBP2CHCy]Fe}(2)(mu-eta(1):eta(1)-N2H2)(mu-NH2)(2) complex featuring bridging HN=NH and NH2- ligands. This contrasts with {[PhBP3Ph]Fe}(2)(mu-eta(1):eta(1)-N2H2)(mu-eta(2):eta(2)-N2H2), which can be chemically oxidized to produce either {[PhBP3Ph]Fe}(2)(mu-eta(1):eta(1)-N2H2)(mu-eta(2):eta(2)-N2H2) or {[PhBP3Ph]Fe}(2)(mu-NH)(2), depending on the conditions. The former product is the only known complex to contain bridging N2H2 ligands in each of their limiting states of oxidation (HN=NH vs HN-NH2-). The latter product constitutes the first example of a diiron Fe-2(mu-NH)(2) diamond-shaped core.

  DOI：

  10.1021/ja903967z
• 作为产物：
  描述：

  [PhBPCH2Cy3]FeCl 、 甲基锂 以 四氢呋喃 为溶剂， 生成 [PhB(CH2P(CH2Cy)2)3]Fe(methyl)
  参考文献：
  名称：

  Characterization of Structurally Unusual Diiron N_xH_y Complexes

  摘要：

  A series of fascinating diiron complexes featuring bridging NxHy ligands stabilized by tris(phosphine)borate ([PhB(CH2PR2)(3)] = [PhBP3R]) ligands have been characterized. Hydrazine activation by [PhBP3R]Fe-Me (R = Ph or cyclohexylmethyl) leads to diiron Fe-2(mu-eta(1):eta(1)-N2H4) (mu-eta(2):eta(2)-N2H2) complexes featuring both bridging hydrazine and hydrazido ligands. Thermolysis of {[PhBP23CHCy]Fe}(2)(mu-eta(1):eta(1)-N2H4) (mu-eta(2):eta(2)-N2H2) at 22 degrees C leads to a structurally unusual {[PhBP2CHCy]Fe}(2)(mu-eta(1):eta(1)-N2H2)(mu-NH2)(2) complex featuring bridging HN=NH and NH2- ligands. This contrasts with {[PhBP3Ph]Fe}(2)(mu-eta(1):eta(1)-N2H2)(mu-eta(2):eta(2)-N2H2), which can be chemically oxidized to produce either {[PhBP3Ph]Fe}(2)(mu-eta(1):eta(1)-N2H2)(mu-eta(2):eta(2)-N2H2) or {[PhBP3Ph]Fe}(2)(mu-NH)(2), depending on the conditions. The former product is the only known complex to contain bridging N2H2 ligands in each of their limiting states of oxidation (HN=NH vs HN-NH2-). The latter product constitutes the first example of a diiron Fe-2(mu-NH)(2) diamond-shaped core.

  DOI：

  10.1021/ja903967z

文献信息

• A Five-Coordinate Phosphino/Acetate Iron(II) Scaffold That Binds N₂, N₂H₂, N₂H₄, and NH₃ in the Sixth Site
  作者：Caroline T. Saouma、Curtis E. Moore、Arnold L. Rheingold、Jonas C. Peters

  DOI：10.1021/ic2016066

  日期：2011.11.21

  A family of iron(II) complexes that coordinate dinitrogen, diazene, hydrazine, and ammonia are presented. This series of complexes is unusual in that the complexes within it feature a common auxiliary ligand set and differ only by virtue of the nitrogenous NxHy ligand that occupies the sixth binding site. The ability of an iron center to bind N-2, N2H2, N2H4, and NH3 is important to establish in the context of evaluating catalytic N-2 reduction schemes that invoke these nitrogenous species. Such a scenario has been proposed as an iron-mediated, alternating reduction scheme within the cofactor of nitrogenase enzymes.