[Fe(η5-Cp)(η6-p-MeOC6H4NHNH2)](1+)PF6(1-) | 284660-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Fe(η5-Cp)(η6-p-MeOC6H4NHNH2)](1+)PF6(1-)
• 英文别名: [CpFe(η6-p-CH3OC6H4NHNH2)]PF6；[CpFe(η6-p-MeOC6H4-NHNH2)](1+)PF6(1-)；[(C5H5)Fe(η6-p-MeOC6H4NHNH2)](PF6)；[CpFe(η6-p-MeOC6H4NHNH2)]PF6；[(η**(5)-Cp)Fe(η**(6)-p-MeO-C6H4NHNH2)]PF6；[(η5-C5H5)Fe(η6-p-MeOC6H4NHN2)]PF6；[(η5-C5H5)Fe(η6-C6H5NHNH2)]PF6；cyclopenta-1,3-diene;iron(2+);(4-methoxyphenyl)hydrazine;hexafluorophosphate
• CAS: 284660-45-3
• 化学式: C₁₂H₁₅FeN₂O*F₆P
• 分子量: 404.075
• InChiKey: MFLLBQPOHJPKEA-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：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1,1'-二茂铁二甲醛 、 [Fe(η5-Cp)(η6-p-MeOC6H4NHNH2)](1+)PF6(1-) 在 acetic acid 作用下， 以 乙醇 为溶剂， 以50%的产率得到([(η5-C5H5)Fe(η6-p-MeOC6H5)NHNCH(η5-C5H4)]2Fe)(PF6)2
  参考文献：
  名称：

  新型共轭的1,1'-二茂铁基封端的[CpFe-芳基hydr] +盐的制备，表征以及电化学和X射线结构研究

  摘要：

  一系列新的共轭双金属的二茂铁-1,1'-二基-双取代的类型（化合物ë） - [CpFe的量（η 6 - p -RC 6 ħ 4）NHN CH（η 5 -C 5 H ^ 4）的Fe（η 5 -C 5 H ^ 4）-CH CHC 6 H ^ 4 - p -R'] + PF 6 - （CP = η 5 -C 5 H ^ 5 ; R，R' = H，NO 2，11 ;我，没有2， 12 ; 的MeO，NO 2， 13 ; 氯，NO 2， 14 ; 我，CN， 15岁；通过封端的1,1'-（对-R'-芳基乙烯基）二茂铁甲醛（R，R）的缩合反应制备了具有封端的（ E）-乙烯基芳基和[CpFe（芳基hydr）] +取代基的Me，Me， 16）'=Me中， 4 ; NO 2， 5 ; CN， 6）与有机金属肼前体[CpFe的量（η 6 - p -RC 6 ħ 4 NHNH 2）] + PF 6 - （R =

  DOI：

  10.1039/b308626g
• 作为产物：
  描述：

  (η6-p-chloroanisole)(η5-cyclopentadienyliron) hexafluorophosphate 、 一水合肼 以 二氯甲烷 为溶剂， 以66%的产率得到[Fe(η5-Cp)(η6-p-MeOC6H4NHNH2)](1+)PF6(1-)
  参考文献：
  名称：

  有机金属铁（II）和肼腙-合成，表征和的[Fe（η的X射线晶体结构5 -Cp）（η 6 -C 6 H ^ 5 NHNH 2）] + PF 6 -和的[Fe（η 5 -cp）（η 6 - p -MeC 6 ħ 4 NHNCMe 2）] + PF 6 -

  摘要：

  三个新的有机金属肼的[Fe（η 5 -Cp）（η 6 -RC 6 ħ 4 NHNH 2）] + PF 6 -，CpC 5 ħ 5，RH，[ 1 ] + PF 6 - ; 米-Me，[ 2 ] + PF 6 - ; p -MeO，[ 3 ] + PF 6 - ，被合成和表征。它们是在CH 2 Cl 2中获得的。由一水合肼的反应，NH 2 NH 2 ·H 2 O，与相应的前体的[Fe（η 5 -Cp）（η 6 -RC 6 ħ 4 Cl）的] + PF 6 - 。类似于空闲常规有机肼，有机金属肼[ 1 ] + PF 6 -和[ 3 ] + PF 6 -与配制成的[Fe（η丙酮，得到腙反应5 -Cp）（η 6 -RC 6 ħ 4 NHN芝加哥商品交易所2）] + PF 6 -，RH，[ 6 ] + PF 6 - ; p -MeO，[ 7 ] + PF 6 - 。同样地，将含有取代基两个其它有机金属腙R

  DOI：

  10.1016/s0022-328x(00)00392-2

文献信息

• Homodimetallic iron(II) hydrazones: syntheses, spectroscopic, electrochemical, and theoretical investigations. X-Ray crystal structure of both syn- and anti- rotamers of [(η5-Cp)Fe(η6-C6H5)–NHNC(Me)–(η5-C5H4) Fe(η5-Cp)]+PF6–
  作者：Carolina Manzur、Mauricio Fuentealba、Lorena Millán、Francisco Gajardo、David Carrillo、Jose A. Mata、Sourisak Sinbandhit、Paul Hamon、Jean-René Hamon、Samia Kahlal、and Jean-Yves Saillard

  DOI：10.1039/b107631k

  日期：2002.2.11

  role of the cationic [CpFe(η6-arene)]+ moiety as an electron acceptor. The crystalline and molecular structure of [9]+PF6− was determined by single crystal X-ray crystallographic analysis. The structure shows the presence of both syn and anti rotamers in the asymmetric unit. The analysis of the electronic structure of [9]+ through DFT calculations indicate a strong perturbation of the metal centers by

  两个同质系列homodimetallic铁（II）通式的腙络合物[CPFe的量（η 6 -对- RC 6 H ^ 4）-NHN CH-（η 5 -C 5 H ^ 4）FeCP] + PF 6 - （CP = η 5 -C 5 H ^ 5）：R = H，[ 5 ] + PF 6 - ; 我，[ 6 ] + PF 6 - ; 的MeO，[ 7 ] + PF 6 -; 氯，[ 8 ] + PF 6 - ; 和[CPFe的量（η 6 -对- RC 6 H ^ 4）-NHN CMe-（η 5 -C 5 H ^ 4）FeCP] + PF 6 -，R = H，[ 9 ] + PF 6 - ; 我，[ 10 ] + PF 6 - ; 的MeO，[ 11 ] + PF 6 - ，已经制备。这些腙通过相应的有机金属的反应，有选择地立体选择性地获得了它们关于N C双键的反式异构体。肼[CPFe的量（η 6 - p
• Iron−Molybdenum Charge-Transfer Hybrids Containing Organometallic and Inorganic Fragments Bridged by Aryldiazenido Ligands in a μ-η⁶:η¹ Coordination Mode:  Syntheses, Characterization, X-ray Structures, Electrochemistry, and Theoretical Investigation
  作者：Carolina Manzur、Lorena Millán、Mauricio Fuentealba、Jean-René Hamon、Loïc Toupet、Samia Kahlal、Jean-Yves Saillard、David Carrillo

  DOI：10.1021/ic0613098

  日期：2007.2.19

  7+PF6-. Besides the heterodinuclear complexes 5+PF6--8+PF6-, the mononuclear molybdenum diazenido derivatives, [(eta1-p-RC6H4NN)Mo(eta2-S2CNEt2)3] (R: H, 9; Me, 10; MeO, 11), resulting from the decoordination of the [(eta5-C5H5)Fe]+ moiety of complexes 5+PF6--7+PF6-, were also isolated. For comparative studies, the crystalline and molecular structure of complex 10.Et2O was also determined by X-ray

  这些铁-钼配合物由分别通过eta6和eta1模式配位的pi共轭芳基二氮杂桥相互连接的有机金属片段和无机片段组成。这些配合物通过FT-IR，紫外可见光谱和1H NMR光谱进行了全面表征，对于配合物7 + PF6-，则通过单晶X射线衍射分析对其进行了全面表征。同样，分别通过循环伏安法和紫外可见光谱法研究了电化学和溶剂变色性质。这些杂化物的电子光谱分别在CH2Cl2和DMSO中的462-489和447-470 nm区域显示吸收带，表明存在通过无机基二氮杂间隔物从无机供体到有机金属受体片段的电荷转移跃迁。通过在7 + PF6-的简化模型上进行DFT计算，可以提供5 + PF6--8 + PF6-的属性的合理化信息。除了杂核复合物5 + PF6--8 + PF6-之外，单核二氮杂钼衍生物[[eta1-p-RC6H4NN）Mo（eta2-S2CNEt2）3]（R：H，9; Me，10; MeO，11 ），也是由于配合物5
• Synthesis and properties of new dinuclear organoiron(II) hydrazones combining the potent electron-donating [(η5-C5H4)FeCp] fragment with [CpFe(η6-arene)]+-type acceptors
  作者：Alexander Trujillo、Mauricio Fuentealba、Carolina Manzur、David Carrillo、Jean-René Hamon

  DOI：10.1016/s0022-328x(03)00594-1

  日期：2003.9

  spectroscopic techniques (1H-NMR, IR and UV–Vis), and electrochemical studies in order to prove the π-donor–acceptor interactions between the two metallocenic termini through the asymmetric elongated π-conjugated spacer. Cyclic voltammetry studies reveal an electrochemically reversible one-electron oxidation and an irreversible one-electron reduction step for all the hydrazone derivatives. The redox potentials

  有机金属前体的肼之间的立体选择性缩合反应[CpFe的量（η 6 - p -RC 6 ħ 4 NHNH 2）] + PF 6 -（R = H，（1）+ PF 6 - ; Me中，（2）+ PF 6 - ;的MeO，（3）+ PF 6 - ;氯，（4）+ PF 6 - ）和（ë） - （2- ferrocenylvinyl） -甲基酮，[（ë） - [CpFe的量（η5 -C 5 H ^ 4）CHCHCOMe]（5）中，使其配制为（四件套新推挽型同双腙络合物的合成ë，ë） - [CpFe的量（η 6 - p -RC 6 ħ 4）NHNCMeCHCH（η 5 -C 5 H ^ 4）FeCp] + PF 6 -（R = H，（6）+ PF 6 - ; Me中，（7）+ PF 6 − ; MeO，（8）+PF 6 - ; 氯，（9）+ PF 6 - ）。这些化合物通过元素分析和光
• Organometallic–inorganic charge transfer salts containing a cationic iron mixed sandwich and polyoxomolybdate anions: Syntheses, X-ray molecular structures and spectroscopic properties
  作者：Natalia Guajardo、Mauricio Fuentealba、Carolina Manzur、David Carrillo

  DOI：10.1016/j.jorganchem.2010.12.004

  日期：2011.6

  Two new organometallic-inorganic charge transfer salts formulated as [(eta(5)-Cp)Fe(eta(6)-MeO-p-C6H4-NHNH2)](2)[Mo6O19], 1, and [(eta(5)-Cp) Fe(eta(6)-MeO-p-C6H4-NHNH2)](4)[beta-Mo8O26], 2, were prepared through a metathesis reaction between the organometallic hydrazine precursor [(eta(5)-Cp) Fe(eta(6)-MeO-p-C6H4-NHNH2)]+PF6- and either [n-Bu4N](2)[Mo6O19] or [n-Bu4N](4)[alpha-Mo8O26] in acetonitrile. In the second case, the [alpha-Mo8O26](4-) anion transforms into the [beta-Mo8O26](4-) isomer. These organometallic-inorganic hybrids were characterized by spectroscopic techniques (IR, H-1 NMR and UV-vis). In addition, the UV-vis diffuse reflectance spectra of 1 and 2 in solid state exhibit a band at lambda(max) = 475 and 470 nm, respectively, not observed in DMSO solution, which have been attributed to a charge transfer transition. On the other hand, the solid state structure of 2, solved by X-ray diffraction analysis shows the formation of hydrogen bonds between the protons of the -NHNH2 and C-H groups with the terminal oxo groups of the beta-octamolybdate anions [beta-Mo8O26](4-). Finally, hybrid 3, formulated as [(eta(5)-Cp) Fe(eta(6)-C6H5OMe)](4) [beta-Mo8O26] was prepared in EtOH under solvothermal conditions. The single crystal X-ray structure shows the elimination of the -NHNH2 group from the organometallic mixed sandwich reducing its associative ability toward the oxo groups of the counterion only to the electrostatic interactions and to the very weak CH center dot center dot center dot O hydrogen bonds. (C) 2010 Elsevier B.V. All rights reserved.
• Organodiiron(II)-complexes containing a long conjugated hydrazonato spacer. Synthesis, characterization, electrochemical and structural studies
  作者：Carolina Manzur、Mauricio Fuentealba、Lorena Millán、Francisco Gajardo、Maria Teresa Garland、Ricardo Baggio、Jose A Mata、Jean-René Hamon、David Carrillo

  DOI：10.1016/s0022-328x(02)01769-2

  日期：2002.10

  Organometallic hydrazines of general formula [(eta(5)-Cp)Fe(eta(6)-p-RC6H4NHNH2)]+PF6- (Cp = C5H5; R = H, (1) +PF6-; Me, (2)+PF6-; MeO, (3)+PF6-; Cl, (4)+PF6-) react with equimolar quantities of (E)-4-(2-ferrocenylvinyl)-benzaldehyde, (E)-[(eta(5)-Cp)Fe(eta(5)-C5H4)-CH=CH-C6H4CHO], to afford stereoselectively, the new homodimetallic hydrazones formulated as (E)-[(eta(5)- Cp)Fe(eta(6)-p -RC6H4)-NHN=CH-C6H4-CH=CH-(eta(5) -C5H4)Fe(eta(5)-Cp)]+PF6- (R = H, (5) +PF6-; Me, (6) +PF6-; MeO, (7)+PF6-; Cl, (8)+PF6-). These compounds were fully characterized by elemental analysis and spectroscopic techniques (H-1-and C-13-NMR, IR and UV-vis) and, in the case of complex (6)+PF6-, by single crystal X-ray diffraction methods. The rotations of the ferrocenyl unit by 37.2degrees out of the -NHN=CH-C6H4-CH=CH- spacer and coordinated phenyl ring planes, may generate an unfavorable structure to allow pi-electron delocalization along the entire hydrazonato backbone between the two metals separated through bonds by more than 1.8 nm, as confirmed by the electrochemical data. (C) 2002 Elsevier Science B.V. All rights reserved.