(η(5)-pentamethylcyclopentadienyl)Fe(η(2)-bis(diphenylphosphino)ethane)((trimethylsilyl)butadiynyl) | 173412-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (η(5)-pentamethylcyclopentadienyl)Fe(η(2)-bis(diphenylphosphino)ethane)((trimethylsilyl)butadiynyl)
• 英文别名: (C5Me5)Fe(dppe)(C.tplbnd.Cc.tplbnd.CSiMe3)；((methyl)₅cyclopentadienyl)*(bis(diphenylphosphino)ethane)FeC≡CC≡CSi(methyl)₃；Fe(II)(CCCCSiMe₃)(dppe)Cp*；(η5-C5Me5)(η2-1,2-bis(diphenylphosphino)ethane)Fe-C2-C2-SiMe3；Fe(CCCCSiMe3)(dppe)Cp*；buta-1,3-diynyl(trimethyl)silane;2-diphenylphosphanylethyl(diphenyl)phosphane;iron(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 173412-81-2
• 化学式: C₄₃H₄₈FeP₂Si
• 分子量: 710.734
• InChiKey: MFBIXTMJPWZCEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 拓扑面积：
  None
• 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：

  (η(5)-pentamethylcyclopentadienyl)Fe(η(2)-bis(diphenylphosphino)ethane)((trimethylsilyl)butadiynyl) 在 NBu₄F 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到((methyl)₅cyclopentadienyl)*(bis(diphenylphosphino)ethane)FeC≡CC≡CH
  参考文献：
  名称：

  元素碳链桥接两个铁中心：在两个不同氧化态下分离的供体-受体[Fe] -C 4- [Fe]配合物的合成和光谱性质。[Cp *（dppe）Fe-C 4 -Fe（CO）2 Cp *]的X射线晶体结构

  摘要：

  络合物的Fe（η 5 -C 5 - [R 5）（CO）2（C⋮CC⋮CSiMe 3）（R = PH，图2a ; R = Me中，图2b）从（η的反应获得5 -C 5博士5）的Fe（CO）2 Br（上1A）或（CP *）的Fe（CO）2 I（*的Cp =η 5 -C 5我5，图1b）与我3的SiC⋮CC⋮CLI（1.05当量）的THF在-80°C（70-75％）下。的丁二络合物（η 5 -C 5我5）的Fe（DPPE）（C⋮CC⋮CSiMe 3在dppe（1,2-双（二苯基膦基）乙烷）（85％）存在下，将2b在甲苯/乙腈混合物（95/5 v / v）中进行光解，制得（2c）。复合物的治疗图2a，2b中，在50/50的CH 1.1当量的氟化钾3 OH / THF混合物在20℃下，得到终端丁二炔复合物（η 5 -C 5 - [R 5）的Fe（CO）2（C⋮CC ＝ CH）（R ＝ Ph，3a； R

  DOI：

  10.1021/om970730o
• 作为产物：
  描述：

  (η(5)-pentamethylcyclopentadienyl)Fe(CO)2((trimethylsilyl)butadiynyl) 、 1,2-双(二苯基膦)乙烷 以 甲苯 、 乙腈 为溶剂， 以85%的产率得到(η(5)-pentamethylcyclopentadienyl)Fe(η(2)-bis(diphenylphosphino)ethane)((trimethylsilyl)butadiynyl)
  参考文献：
  名称：

  元素碳链桥接两个铁中心：在两个不同氧化态下分离的供体-受体[Fe] -C 4- [Fe]配合物的合成和光谱性质。[Cp *（dppe）Fe-C 4 -Fe（CO）2 Cp *]的X射线晶体结构

  摘要：

  络合物的Fe（η 5 -C 5 - [R 5）（CO）2（C⋮CC⋮CSiMe 3）（R = PH，图2a ; R = Me中，图2b）从（η的反应获得5 -C 5博士5）的Fe（CO）2 Br（上1A）或（CP *）的Fe（CO）2 I（*的Cp =η 5 -C 5我5，图1b）与我3的SiC⋮CC⋮CLI（1.05当量）的THF在-80°C（70-75％）下。的丁二络合物（η 5 -C 5我5）的Fe（DPPE）（C⋮CC⋮CSiMe 3在dppe（1,2-双（二苯基膦基）乙烷）（85％）存在下，将2b在甲苯/乙腈混合物（95/5 v / v）中进行光解，制得（2c）。复合物的治疗图2a，2b中，在50/50的CH 1.1当量的氟化钾3 OH / THF混合物在20℃下，得到终端丁二炔复合物（η 5 -C 5 - [R 5）的Fe（CO）2（C⋮CC ＝ CH）（R ＝ Ph，3a； R

  DOI：

  10.1021/om970730o

文献信息

• Synthesis, redox properties, and electronic characteristics of complexes {Cp*(dppe)FeC≡CC2R[Mo2Cp2(CO)4]} n+
  作者：V. A. Koneva、E. S. Taits、M. G. Ezernitskaya、B. V. Lokshin、V. V. Krivykh

  DOI：10.1007/s11172-014-0760-y

  日期：2014.11

  New acetylene-bridged complexes Cp*(dppe)FeC≡CC2R[Mo2Cp2(CO)4]} n+ (R = H, SiMe3; n = 0, 1, 2) containing the mononuclear organoiron and cluster (Mo2C2) fragments were synthesized and their electrochemical and spectroscopic properties were studied. NearIR spectroscopy showed that single-electron oxidation results in the formation of compounds with electronic communication between two metal centers. The conductivity parameters were estimated suggesting the compounds obtained to be molecular conductors of class II according to the Robin-Day classification.

  合成了含有单核有机铁和簇 (Mo2C2) 片段的新乙炔桥配合物 Cp*(dppe)FeC≡CC2R[Mo2Cp2(CO)4]} n+ (R = H, SiMe3; n = 0, 1, 2)并研究了它们的电化学和光谱性质。近红外光谱表明，单电子氧化导致形成两个金属中心之间具有电子通讯的化合物。电导率参数的估计表明所获得的化合物是根据 Robin-Day 分类的 II 类分子导体。
• Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}–(C≡C)_<i>n</i>–R]^0/+ (M = Fe, Ru): An Experimental and Theoretical Investigation
  作者：Frédéric Gendron、Alexandre Burgun、Brian W. Skelton、Allan H. White、Thierry Roisnel、Michael I. Bruce、Jean-François Halet、Claude Lapinte、Karine Costuas

  DOI：10.1021/om300584u

  日期：2012.10.8

  Two series of metal-polyynyl complexes of iron and ruthenium of general formula [M(dppe)Cp*}-(C C)(n)-R](0/+) (M = Fe, Ru; R = H, Ph, SiMe3, Au(PPh3); n = 1-3), have been synthesized, characterized, and theoretically analyzed. The results provide a comprehensive description of the effect of the length of the conjugated carbon chain and the role of the nature of the metal atom and the terminal substituent on their neutral and oxidized states. For the latter, the spin density found on the carbon chain is a source of instability; e.g., for R = Au(PPh3), the oxidized compounds are much more accessible electrochemically than the rest of the series but are susceptible to radical attack. Of particular interest is the use of joint experimental and theoretical EPR studies, which allow elucidation of the differences of behavior within the two series. It reveals that the atomic spin density on the metal is not a sufficient criterion to evaluate EPR anisotropy but that the specific nodal properties of the frontier spin-orbitals highly influence the EPR components. The localization of the spin density on specific carbon atoms of the conjugated chain (even numbered) opens up the possibility of building extended systems by targeted radical reactions.
• Reaction of 1,3-diynes with the electron rich iron complex (η5-C5Me5)(η2-dppe)FeCl. A new and direct access to the iron butadiynyl complex (η5-C5Me5)(η2-dppe)FeCCCCSiMe3
  作者：Françoise Coat、Patrice Thominot、Claude Lapinte

  DOI：10.1016/s0022-328x(01)00797-5

  日期：2001.6

  The electron rich iron complexes (C5Me5)Fe(dppe)Cl (3) and (C5Me5)Fe(dppe)Br (4) do not react with Li(C equivalent toC)(n)SiMe3 (n = 1, 2). Treatment of the chloro iron complex 3 with Me3SiC equivalent toC-C equivalent to CSiMe3 in methanol and in the presence of NaBPh4 provides the binuclear complex (C5Me5)(dppe)FeC equivalent toC-C equivalent toC-Fe(dppe) (C5Me5) (10) as the unique product of this clean reaction (73%). Reaction of the chloro iron derivative 3 with one equivalent of trimethylsilyl(1,3-butadiyne) in triethylamine as a solvent and in the presence of NaBPh4 yields 82% of the mononuclear iron trimethylsilyl-l,3-butadiyne compound. The triethylamine acts as a base to selectively deprotonate the putative butatrienylidene intermediate. (C) 2001 Elsevier Science B.V. All rights reserved.
• ——
  作者：V. A. Koneva、V. V. Krivykh

  DOI：10.1023/a:1015037008399

  日期：——
• Coat, Francoise; Lapinte, Claude, Organometallics, 1996, vol. 15, p. 477 - 479
  作者：Coat, Francoise、Lapinte, Claude

  DOI：——

  日期：——