Fe[(η(5)-C5H4)(Me2Si(CH2)2SiMeCl2)]2 | 1086706-69-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Fe[(η(5)-C5H4)(Me2Si(CH2)2SiMeCl2)]2
• 英文别名: Fe(η5-C5H4SiMe2CH2CH2SiMeCl2)2；dichloro-[2-[cyclopenta-2,4-dien-1-yl(dimethyl)silyl]ethyl]-methylsilane;iron(2+)
• CAS: 1086706-69-5
• 化学式: C₂₀H₃₄Cl₄FeSi₄
• 分子量: 584.491
• InChiKey: HZWLONNRSDATTJ-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：

  1,1'-dilithioferrocene N,N,N'N'-tetramethylethylenediamine 、 Fe[(η(5)-C5H4)(Me2Si(CH2)2SiMeCl2)]2 以 四氢呋喃 为溶剂， 以70%的产率得到Fe((η5-C5H4)SiMe2CH2CH2SiMe(η5-C5H4)2Fe)2
  参考文献：
  名称：

  Ferrocenylene- and Carbosiloxane-Bridged Bis(sila[1]ferrocenophanes) E[SiMe₂-X-SiMeFC]₂ {E = (η⁵-C₅H₄)Fe(η⁵-C₅H₄) or O; X = (CH₂)_n (n = 2, 3, 6); CH═CH; FC = (η⁵-C₅H₄)₂Fe}

  摘要：

  New FC[SiMe2(CH2)(n)SiMeFC](2) [FC = 1,1'-ferrocenylene; FC = 1,1'-ferrocenophane, (eta(5)-C5H4)(2)Fe); n = 2 (7), 3 (8), 6 (9)] and O[SiMe2-X-SiMeFC](2) [X = (CH2)(2) (11), CH=CH (13)] have been synthesized and characterized. The synthesis involved the reactions of FCLi2 center dot tmeda with FC[SiMe2(CH2)(n)SiMeCl2](2) [n = 2 (4), 3 (5), 6 (6)] and O[SiMe2-X-SiMeCl2](2) [X = (CH2)(2) (10), CH=CH (12)] at -78 degrees C. Compounds 4-13 were characterized by elemental analysis, NMR spectroscopy, and for 11, single-crystal X-ray crystallography. The cyclopentadienyl rings in the structure of 11 are tilted with a dihedral angle of 19.8 degrees. The observed red-shift of the lowest energy transition associated with the ferrocenophanyl groups in UV/vis spectra of 7-9, 11, and 13 also confirms the ring strain. Cyclic voltammetric studies exhibited either a broad (7-9) or sharp (11, 13) wave for the reversible redox process. The broadness of the band for the FC-bridged complexes is a composite of the two types of (eta(5)-C5H4)Fe(eta(5)-C5H4) unit, but no significant inter-Fc interaction could be discerned. All the new bis-ferrocenylene materials are readily ring-opened to form polymeric materials.

  DOI：

  10.1021/om800537b
• 作为产物：
  描述：

  甲基二氯硅烷 、 1,1'-bis(dimethylvinylsilyl)ferrocene 在 divinyltetramethyldisiloxane-platinum complex 作用下， 以 甲苯 为溶剂， 以97%的产率得到Fe[(η(5)-C5H4)(Me2Si(CH2)2SiMeCl2)]2
  参考文献：
  名称：

  1,1‘-Bis(dimethylvinylsilyl)ferrocene as a Two-Directional Core for the Construction of Homo- and Heterometallic Systems

  摘要：

  The divinyl derivative Fe[(eta(5)-C5H4)(Me2SiCH=CH2)](2) (1), prepared by the low-temperature reaction of 1, 1'-dilithioferrocene.TMEDA with ClSiMe2(CH=CH2), has been used as a readily functionalizable core unit for the synthesis of multimetallic systems. The hydrosilylation reaction of 1 with Cl2MeSiH and Ph2MeSiH provides the tetrafunctional ferrocenes Fe[(eta(5)-C5H4)(SiMe2(CH2)(2)SiMeCl2)](2) (2) and Fe[(eta(5)-C5H4)(SiMe2(CH2)(2)SiMePh2)](2) (5), which after reaction with Fe(eta(5)-C5H4Li)(eta(5)-C5H5) and Cr(CO)(6), respectively, afforded the pentametallic molecules Fe[(eta(5)-C5H4)(SiMe2(CH2)(2)SiMeFc(2))](2) (3) (Fc = (eta(5)-C5H4)Fe(eta(5)-C5H5)) and Fe[(eta(5)-C5H4)(SiMe2(CH2)(2)SiMe{(mu(6)-C6H5)Cr(CO)(3)}(2))](2) (6) Characterization of the synthesized molecules by H-1, C-13, and Si-29 NMR and IR spectroscopy, mass spectrometry, and elemental analysis supports their assigned structures. The electrochemical behavior has been studied. While 3 contains two pairs of outer silicon-bridged ferrocenyl units; in which the iron centers interact with one another, in the related 6 the chromium tricarbonyl groups complexed to arene rings, also joined by a single silicon, are essentially noninteracting.

  DOI：

  10.1021/om990109j