| 64827-29-8

• CAS: 64827-29-8
• 化学式: C₃₈H₃₆FeP₂
• 分子量: 610.498
• InChiKey: RKUWZCUIVXFNGQ-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

• 作为产物：
  描述：

  、 benzyllithium 、 1,2-双(二苯基膦)乙烷 以 苯 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  顺磁性金属-烃基物质在有机金属反应中的中间体。苄基卤偶联中新型顺磁性铁(II)-苄基化合物的检测和表征

  摘要：

  顺磁性金属烃基物种已被假定为几个有机金属反应序列中的中间体。在这些反应的优势中，顺磁中间体已被 ESR 光谱检测到。在其他情况下，由于形成伴随的有机自由基，这些物种与 CIDNP 的观察有关。不幸的是，迄今为止，基于化学位移和共振强度的 NMR 光谱对这些中间体的更直接表征受到严重谱线加宽的阻碍。在此，作者报告了一种新型顺磁性 Fe(II)-苄基化合物 (TMEDA)Fe(CH/sub 2/Ph)/sub 2/ 的 NMR 光谱检测和表征，该化合物是苄基偶联的关键中间体。卤化物由 (CpFe(COD))(Li-(TMEDA)), (Cp = C/sub 5/H/sub 5//sup -/,

  DOI：

  10.1021/ja00213a063

文献信息

• Mechanistic Aspects of the Reaction of Anionic Iron(0)-Olefin Complexes with Organic Halides. Detection and Characterization of Paramagnetic Organometallic Intermediates
  作者：Dale H. Hill、Masood A. Parvez、Ayusman Sen

  DOI：10.1021/ja00086a022

  日期：1994.4

  The scope and the mechanism of the reactions of [CpFe(COD)][Li(TMEDA) (Cp = C5H5-; COD = 1,5-cyclooctadiene; TMEDA = Me(2)NCH(2)CH(2)NMe(2)), 1, with a number of organic monohalides and geminal dihalides were investigated. With monohalides organic coupling products were observed, and, in:particular, the coupling and cross-coupling of benzyl and allyl halides were studied in detail. The addition of 1 equiv of benzyl halide to 1 in benzene resulted in the initial formation of [CpFe(COD)(CH(2)Ph)], 7. The predominant pathway involved an initial one-electron transfer from [CpFe(COD)](-) to PhCH(2)X to form PhCH(2)X*(-) and [CpFe(COD)]*. PhCH(2)X*(-) quickly disproportionated to form PhCH(2)* and X(-). The benzyl radical then added to [CpFe(COD)]*. Once formed [CpFe(COD)(CH(2)Ph)] reacted with TMEDA in a disproportionation reaction to form 0.5 equiv of the paramagnetic compound, [(TMEDA)Fe(CH(2)Ph)(2)], 3, and 0.5 equiv of FeCp(2). When additional benzyl (or allyl) halide was added, it reacted with [(TMEDA)Fe(CH(2)Ph)(2)] to form the coupled (or cross-coupled) product. This coupling reaction involved the intermediacy of benzyl (and allyl) radicals, and the experimental results were consistent with the product being formed by the coupling of two radicals in solution.