[Fe(η-C5H4)(η-C5Me4)SiMe2] | 164072-06-4

• 英文名称: [Fe(η-C5H4)(η-C5Me4)SiMe2]
• 英文别名: Fe(.eta-C5H4)(η-C5Me4)SiMe2
• CAS: 164072-06-4
• 化学式: C₁₆H₂₂FeSi
• 分子量: 298.283
• InChiKey: HAMREWXEXIHGHN-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

• 作为反应物：
  描述：

  [Fe(η-C5H4)(η-C5Me4)SiMe2] 以 solid 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  硅桥联 [1] 二茂铁的过渡金属催化开环聚合 (ROP)：简便的分子量控制和具有区域规整、梳状、星形和嵌段结构的聚（二茂铁）的非常方便的合成

  摘要：

  已发现过渡金属（PtII 或 Pt0）催化的硅桥联 [1] 二茂铁的开环聚合 (ROP) 可以简单方便地控制聚（二茂铁）的区域结构、分子量和结构。而不对称硅桥联 [1] 二茂铁 Fe(η-C5H4)(η-C5Me4)SiMe2 (3) 在 150 °C 的热 ROP 通过 Si-CpH 和 Si-CpMe 键的非选择性裂解（CpH = η-C5H4, CpMe = η-C5Me4) 产生无定形、区域不规则的聚（二茂铁基硅烷），25°C 溶液中 Pt 催化的 3 的 ROP 涉及选择性裂解 Si-CpH 键以提供结晶聚（二茂铁基硅烷） ) 5 具有区域规则的微观结构。在 3 与苯并硅杂环丁烷 (7) 的 Pt 催化共聚过程中，也检测到了 3 的区域选择性 ROP。

  DOI：

  10.1021/ja981429h
• 作为产物：
  描述：

  、 iron(II) chloride 以 四氢呋喃 为溶剂， 以27%的产率得到[Fe(η-C5H4)(η-C5Me4)SiMe2]
  参考文献：
  名称：

  具有甲基化环戊二烯基环的应变硅桥连的[1]二茂铁杂环烯的合成，结构和性质

  摘要：

  A series of strained, silicon-bridged [1]ferrocenophanes with methylated cyclopentadienyl rings; which are prospective monomeric precursors of poly(ferrocenylsilanes) via ring-opening polymerization, has been synthesized and characterized. The dimethylated silicon-bridged [1]ferrocenophanes Fe(eta-C(5)H(3)Me)(2)SiMe(2) (4) were prepared as a mixture of isomers via the reaction of Fe(eta-C(5)H(3)MeLi)(2) . TMEDA (TMEDA = tetramethylethylenediamine) with Me(2)-SiCl2. The 3,3'-syn isomer 4a was cleanly isolated via low-temperature crystallization. The tetramethylated silicon-bridged [1l]ferrocenophane Fe(eta-C(5)Me(4))(eta-C5H4)SiMe(2) (6) and the octamethylated silicon-bridged [1]ferrocenophane Fe(eta-C(5)Me(4))(2)SiMe(2) (8) were prepared via the reaction of FeCl2 with Li-2[(C(5)Me(4))(C5H4)SiMe(2)] and Li-2[(C(5)Me(4))(2)SiMe(2)], respectively. X-ray diffraction studies of 4a and 8 revealed that these molecules possess highly strained ring-tilted structures. Comparison with the previously determined structure of Fe(eta-C5H4)(2)-SiMe(2) (1) revealed that, with increasing ring methylation, the tilt angle between the planes of the cyclopentadienyl ligands decreases significantly (1, 20.8(5)degrees; 4a, 18.6(3)degrees; 8, 16.1(3)degrees), the angle between the cyclopentadienyl ligand and the ipso cyclopentadienyl carbon-silicon bond increases (1, 37.0(6)degrees 4a, 39.1(2)degrees 8, 40.3(2)degrees), and the Fe-Si distance decreases (1, 2.690(3) Angstrom; 4a, 2.6767(8) Angstrom; 8, 2.652(1) Angstrom. Cyclic voltammetric analysis of 1, 4a, 6, and 8 in CH2Cl2 revealed that each ferrocenophane exhibits a reversible, one-electron oxidation. Analysis of 1 and 8 by Fe-57 Mossbauer spectroscopy in conjunction with the crystallographically determined trend in Fe-Si distances provided evidence for the presence of a weak dative Fe-Si interaction which is more substantial in the latter species than the former. Crystals of 4a (C14H18FeSi) are orthohombic, space group Pbca, with a 14.775(2) Angstrom, b = 10.655(2) Angstrom, c = 16.882(2) Angstrom, V = 2657.7(7) Angstrom(3), and Z = 8. Crystals of 8 (C20H30FeSi) are monoclinic, space group C2/c, with a = 15.687(3) Angstrom, b = 9.194(1) Angstrom, c = 26.612(5) Angstrom, beta = 98.65(2)degrees, V = 3653(6) Angstrom(3), and Z = 8.

  DOI：

  10.1021/om00005a051

文献信息

• A Heterolytic Cyclopentadienyl Carbon-Silicon Bond Cleavage Mechanism for the Thermal Ring-Opening Polymerization of Silicon-Bridged [1]Ferrocenophanes
  作者：John K. Pudelski、Ian Manners

  DOI：10.1021/ja00132a035

  日期：1995.7
• Architectural Control in the Transition-Metal-Catalyzed Ring-Opening Polymerization of Silicon-Bridged[1]Ferrocenophanes
  作者：Paloma Gómez-Elipe、Peter M. Macdonald、Ian Manners

  DOI：10.1002/anie.199707621

  日期：1997.4.18