{(η5-EtC6H6)(hydrido)(i-Pr)2P(CH2)2P(i-Pr)2}Fe | 115161-12-1

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: {(η5-EtC6H6)(hydrido)(i-Pr)2P(CH2)2P(i-Pr)2}Fe
• 英文别名: [Fe(η5-1-ethylcyclohexadienyl)(H)(iPr2PCH2)2]；[(bis(diisopropyphosphino)ethane)(η⁵-C₆H₇Et-endo)Fe(H)]；[(dippe)(η⁵-C₆H₇Et-endo)Fe(H)]
• CAS: 115161-12-1
• 化学式: C₂₂H₄₄FeP₂
• 分子量: 426.386
• InChiKey: OUFYJXSIIFVGAP-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：

  [Fe(η2,η3-1-vinylcyclohexenyl)(H)(iPr2PCH2)2] 以 氘代甲苯 为溶剂， 生成 {(η5-EtC6H6)(hydrido)(i-Pr)2P(CH2)2P(i-Pr)2}Fe
  参考文献：
  名称：

  Gabor, B.; Goddard, R.; Holle, S., Zeitschrift fur Naturforschung, B: Chemical Sciences

  摘要：

  DOI：

文献信息

• Ligand Exchange on and Allylic C–H Activation by Iron(0) Fragments: π-Complexes, Allyliron Species, and Metallacycles
  作者：Alicia Casitas、Helga Krause、Sigrid Lutz、Richard Goddard、Eckhard Bill、Alois Fürstner

  DOI：10.1021/acs.organomet.7b00571

  日期：2018.3.12

  featuring a bridging hydride ligand between the iron and the boron atoms. Along the same line, 1,3-dienes bind well to 2 but undergo spontaneous activation if allylic C–H bonds are present; the resulting hydride is transferred to a residual ethylene ligand, as manifest in the formation of the cyclopentadienyl ethyl complex 22. The same elementary steps surface in a remarkable reaction cascade comprising

  配合物[（dippp）Fe（C 2 H 4）2 ]（2）和[CpFe（C 2 H 4）2 ] [Li·（tmeda）]（5）都含有形式上为零价的铁中心，但表现出明显不同催化性能。尽管5能够诱导广泛的环异构化和环加成反应，2到目前为止，基本上仅限于炔烃和腈的环三聚。对两种复杂的相对于不饱和基材的行为的研究提供了对这种独特行为的可能起源的见解。因此，发现普通末端或内部烯烃不更换连接的乙烯单元2，而较强的π -受体配体1,5-环辛二烯，2-降冰片烯，和二苯基乙炔，得到相应的π络合物8，9，10，和13。参与氧化环化并形成相应金属环12的环丙烯衍生物。烯丙基-9-BBN或烯基-9-BBN衍生物屈服于烯丙基CH活化，并形成了非正统的烯丙基铁配合物25和27，其特征是铁和硼原子之间具有桥联氢化物配体。同样地，如果存在烯丙基CH键，则1，3-二烯与2结合良好，但会自发活化。如形成环戊二烯基乙基络合物22
• The preparation of bis(η3-allyl)iron(II) complexes and their reactions with 1,3-dienes
  作者：B. Gabor、S. Holle、P.W. Jolly、R. Mynott

  DOI：10.1016/0022-328x(94)88046-8

  日期：1994.2

  The title compounds were prepared by treating Fe(PR(3))(2)Cl-2 or Fe(R(2)P(CH2)(n)PR(2))Cl-2 with allylmagnesium chloride. Some of them were also made by reaction of Fe(PR(3))(2)Cl-2 with isopropylmagnesium chloride, or with active-magnesium and allyl chloride, or by reaction between tris(eta(3)-allyl)iron and bis(dimethylphosphino)ethane. The new compounds were characterized by NMR spectroscopy and shown to be formed as a mixture of two isomers that differ in the mutual arrangement of the two allyl groups. The reactions of the bis(allyl)iron compounds with 1,3-dienes were studied: complexes containing eta(4)-1,3-C4H6, eta(4)-1-C3H5C4H5 or eta(5)-l-ethylcyclohexadienyl groups were isolated from the reaction with 1,3-butadiene. The reaction between (eta(3)-C3H5)(2)Fe((Pr2PC2H4PPr)-Pr-i-Pr-i(2)) and 1,3-cyclohexadiene gave (eta(5)-cyclohexadienyl)Fe((Pr2PC2H4PPr2)-Pr-i-Pr-i)H.