| 64478-33-7

• 分子结构分类: 有机化合物
• CAS: 64478-33-7
• 化学式: C₁₃H₃₉FeIP₄
• 分子量: 502.099
• InChiKey: XMLGVAXCXHUMTQ-UHFFFAOYSA-M

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：

  N-allyl-pyridylmethylideneamine 、 以 氘代苯 为溶剂， 反应 80.0h， 以54%的产率得到mer,trans-{κ³-N,N,C-(2-pyridyl)CHNCH₂CHCH}Fe(PMe₃)₂I
  参考文献：
  名称：

  Fe(IV) alkylidenes are actually Fe(II), and a related octahedral Fe(II) “alkylidene” is a conjugated vinyl complex

  摘要：

  Electronic structure calculations on previously synthesized [mer-(kappa-C,N,C-(2-C6H4)CH=N(1,2-C6H4) C(Pr-i)=Fe(PMe3)(3)][BAr4F] (1) and mer,trans-(kappa-C,N,C-(2-C6H4)CH(Bn)N(1,2-C6H4)C(Pr-i)=}Fe(PMe3)(2)N-2 (4-Bn) reveal that 1 is best interpreted as Fe(II) bound to a carbenium ion, while 4-Bn has an imino-vinyl unit bound to a ferrous center. Attempts to prepare LnFe=CHR species capable of olefin metathesis or carbene transfer were obviated by alternative reactivity, although precursors mer,trans-{kappa(3)-N,N,C-(2-py) CH=NCH2CH=CH}Fe(PMe3)(2)CH3 (6), [mer,trans-{kappa(3)-N,N,C-2-py-CH=NCH2CH=CH}Fe(PMe3)(2)CH3] [PF6-] (8), mer,trans-{kappa(3)-N,N,C-2-py-CH=NCH2CH=CH}Fe(PMe3)(2)I (9), mer-{kappa(3)-N,N,C-(2-pyridyl) CHNCHCHCH} Fe(PMe3)(3) (11), and mer-{kappa(3)-C,N,C-(2-C6H4)CH=NCH2CH=CH}Fe(PMe3)(3) (12) were prepared. Related phenyl derivatives, mer,trans-{kappa(3)-N,N,C-(2-py)CH=NC(Me)(2)CH=CH}Fe(PMe3)(2)CH3 (13) and [mer,trans-kappa(3)-N, N,C-(2-py)CH=NC(Me)(2)CH=CH}Fe(PMe3)(2)N-2][BAr4F] (15) were prepared to test additional stability issues. Compounds 9 and 11 were structurally characterized, and metrical parameters of the latter, in addition to electronic structure calculations, suggest that it is not an alkylidene, but an Fe(II) center coordinated by a conjugated vinyl ligand with extensive delocalization in its pi-system. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2016.04.030
• 作为产物：
  描述：

  bis(trimethylphosphino)iron(II) chloride 、 三甲基膦 在 magnesium 、 碘甲烷 作用下， 以 四氢呋喃 为溶剂， 以23%的产率得到[(Dimethylphosphino)methyl-P,C]methyltris(trimethylphosphan)eisen
  参考文献：
  名称：

  Karsch, Hans Heinz, Chemische Berichte, 1984, vol. 117, # 2, p. 783 - 796

  摘要：

  DOI：

文献信息

• Steering of Configuration by (2-Phosphanyl)phenolato Ligands in Trimethylphosphane Iron Complexes
  作者：Hans-Friedrich Klein、Markus Frey、Shizhen Mao

  DOI：10.1002/zaac.200500021

  日期：2005.6

  two isomers A and B. 4 and 5 react with their parent phosphanylphenols, respectively, to give diamagnetic complexes Fe(P∧O)2(PMe3) (11, 12) which dissociate trimethylphosphane to give paramagnetic compounds Fe(P∧O)2. The same phosphanylphenols react with FeCl3 to afford racemic mixtures of complexes Fe(P∧O)3 (13, 14). Structural data were also obtained from single crystals of compounds 1, 5, and 11.

  (二苯基膦基)酚 C6H3 (1-OH) (2-PPh2) (4-R1) (6-R2)，缩写为 (P∧OH)，氧化加成到 Fe (PMe3) 4 上，得到氢化铁 (II) 化合物 fac- FeH (P∧O) (PMe3) 3 (1: R1 = R2 = H; 2: R1 = Me, R2 = H; 3: R1 = OMe, R2 = H; 4: R1 = Me, R2 = CMe3; 5 : R1 = R2 = CMe3) 具有高立体选择性。(2-二苯基膦基)苯硫酚 (P∧SH) 相应地反应形成 fac-FeH (P∧S) (PMe3) 3 (9)。1H、13C 和 31P 信号的完整分配是通过 2D 异核位移相关实现的。4,6-二叔丁基-(2-二苯基膦酰基)苯酚与FeI (Me) (PMe3) 4 反应形成FeI (P∧O) (PMe3) 2 (6)。4、5 和 9 在 1 bar CO