N-(2,4,6-tri-tert-butylphenyl)imino(pentafluorophenyl)phosphane iron tetracarbonyl adduct | 1309767-04-1

• 英文名称: N-(2,4,6-tri-tert-butylphenyl)imino(pentafluorophenyl)phosphane iron tetracarbonyl adduct
• CAS: 1309767-04-1
• 化学式: C₂₈H₂₉F₅FeNO₄P
• 分子量: 625.355
• InChiKey: BZORITNIPDOUGX-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

• 作为产物：
  描述：

  diiron nonacarbonyl 、 N-(2,4,6-tri-tert-butylphenyl)imino(pentafluorophenyl)phosphane 以 正己烷 为溶剂， 以82%的产率得到N-(2,4,6-tri-tert-butylphenyl)imino(pentafluorophenyl)phosphane iron tetracarbonyl adduct
  参考文献：
  名称：

  Synthesis of Blue Imino(pentafluorophenyl)phosphane

  摘要：

  The reaction of AgC6F5 with monomeric iminophosphanes of Mes*-N=P-X (X = Cl, I) in CH2Cl2 at ambient temperature gives imino(pentafluorophenyl)phosphane, Mes*N=P(C6F5) (1), in almost quantitative yield (96%), which could be isolated as a highly viscous blue oil. The same reaction with LiC6F5 results in the formation of imino(amino)phosphane (C6F5)(2)P-N(Mes*)-P=NMes* (2) (yield 93%). In the second series of experiments the analogous reaction of MC6F5 (M = Ag, Li) with dimeric [Cl-P(mu-N -Dipp)](2) was studied, leading to the formation of [R-P(mu-N-Dipp)](2) (R = C6F5) (3) for M = Ag, while only decomposition products such as P(C6F5)(3) were observed in the reaction with the Li salt. Highly labile Mes*-N=P-C6F5 (1) decomposes at ambient temperatures, forming among other products the diphosphane (C6F5)(2)P-F(C6F5)(2) (4). Reaction of 1 with Fe-2(CO)(9) yields the iron carbonyl complexes Mes*-N=P(C6F5)center dot Fe(CO)(4) (5) and [Mes*-N=P(C6F5)](2)center dot Fe(CO)(3) (6). The structure, bonding, and potential energy surface are discussed on the basis of B3LYP/6-31G(d, p) computations. According to time-dependent B3LYP calculations, the blue color of 1 arises from an n -> pi* electronic transition.

  DOI：

  10.1021/ic200623x