(3,4-dimethylcyclopenta-1,3-dienyl)ferrocene | 140175-32-2

• 英文名称: (3,4-dimethylcyclopenta-1,3-dienyl)ferrocene
• CAS: 140175-32-2
• 化学式: C₁₇H₁₈Fe
• 分子量: 278.177
• InChiKey: YCBFNTYWBGMGSP-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：

  (3,4-dimethylcyclopenta-1,3-dienyl)ferrocene 、 3,5-二叔丁基邻苯醌 以 四氢呋喃 为溶剂， 以84%的产率得到
  参考文献：
  名称：

  Heterocyclisation of ferrocenyl- and benzenetricarbonyl chromium-cyclopentadienes with o-quinone. Evidence for a SET route

  摘要：

  A series of cyclopentadienyl ligands substituted by unsaturated systems including various transition metal groups ((C5H5)(2)Fe, PhCr(CO)(3)) were reacted with 3,5-di-tert-butyl orthoquinone producing 1,4-benzodioxines in high yields. These cycloaddition reactions were stereospecific. H-1 and C-13 NMR studies and X-ray structural analysis are in agreement with the exclusive formation of "endo" cycloadducts. Moreover, an ESR study shows the transient formation of both the radical anion of the o-quinone and the radical cation of the dienic system indicating an alternative single electron transfer pathway. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00482-1
• 作为产物：
  描述：

  二茂铁 、 3,4-二甲基环戊-3-烯-1-酮 在 t-BuLi 作用下， 以 四氢呋喃 为溶剂， 以47%的产率得到(3,4-dimethylcyclopenta-1,3-dienyl)ferrocene
  参考文献：
  名称：

  单（环戊二烯基）-和双（环戊二烯基）取代的二茂铁的合成与结构

  摘要：

  The reactions of the cyclopentenones 3,4-dimethylcyclopentenone, 1-indanone, and 2-indanone with mono- and dilithioferrocene lead to the synthesis of cyclopentadienyl-substituted ferrocenes: (3,4-dimethyl-cyclopenta-1,3-dienyl)ferrocene (1), (1-indenyl)ferrocene (3), (2-indenyl)ferrocene (4), and 1,1'-bis(3,4-dimethylcyclopenta-1,3-dienyl)ferrocene (2). The crystal structure of compound 2 was determined. The crystal data are as follows: C24H26Fe, triclinic, P1BAR, a = 7.561 (2) angstrom, b = 10.738 (2) angstrom, c = 13.005 (3) angstrom = 102.05 (3)-degrees, beta = 104.29 (3)-degrees, gamma- 108.84 (3)-degrees, V = 919.1 (4) angstrom3, Z = 2, R = 0.0279, and R(W) = 0.0398 on the basis of 2336 reflections with F greater-than-or-equal-to 4-sigma-(F). It displays an unusual cofacial arrangement of the two 3,4-dimethylcyclopenta-1, 3-dienyl rings. The lithium salt of 1 reacts with FeCl2 to give the triferrocenyl bis(1-ferrocenyl-3,4-dimethylcyclopentadienyl)ferrocene (5). The reaction of the dilithium salt of 2 with FeCl2 yields a mixture of polymeric ferrocenes.

  DOI：

  10.1021/om00041a019

文献信息

• Synthesis, Structures, and Reactivity of Mono- and Bis(ferrocenyl)-Substituted Group 14 Metallocenes
  作者：Mounia Joudat、Annie Castel、Fabien Delpech、Pierre Rivière、Ali Mcheik、Heinz Gornitzka、Stéphane Massou、Alix Sournia-Saquet

  DOI：10.1021/om0400393

  日期：2004.6.1

  New mono- and bis(ferrocenyl)-substituted germanocenes and stannocenes have been synthesized in good yield by the reaction between group 14 dichlorides (Cl2Ge·dioxane, Cl2Sn) and the lithium salts of the corresponding mono- and bis(cyclopentadienyl)-substituted ferrocenes. The X-ray crystal structure analyses of germanocenes 3a and 4a reveal a bent sandwich structure with an angle between the cyclopentadienyl

  通过第14组二氯化物（Cl 2 Ge·二恶烷，Cl 2 Sn）与相应的单（双）和双（环戊二烯基）的锂盐之间的反应，可以高收率合成新的单和双（二茂铁基）取代的锗茂金属和锡诺烯）取代的二茂铁。germanocenes的X射线晶体结构分析图3a和4a中揭示的弯曲夹层结构与45.4°和40.9环戊二烯基平面之间°的角度3A和4A， 分别。质谱和电化学研究表明，二茂铁基团可稳定生成的瞬态阳离子，特别是在锗系列中。还报道了它们与亲电子试剂如邻苯二酚的反应和与邻醌的环加成反应，并且在后一种情况下，表明二甲基环戊二烯基部分的比反应性增加。
• Synthesis, structure and properties of new iron–molybdenum and –tungsten fulvalene-bridged heterobimetallic complexes
  作者：Michael J. Begley、Philip Mountford、Philip J. Stewart、Daniel Swallow、Susan Wan

  DOI：10.1039/dt9960001323

  日期：——

  [MoBr(MeCN)2(CO)2(η-C3H5)] or [WCl(MeCN)2(CO)2-(η-C3H5)] led to the corresponding fulvalene (and related)-bridged, Fe–Mo or Fe–W heterobimetallic derivatives [(C5H5)Fe(C5H4C5Me4)Mo(CO)2(η-C3H5)]2, [(C5H5)Fe(C5H4C5H2Me2)M(CO)2(η-C3H5)](M = Mo 3 or W 4) and [(C5H5)Fe(C5H4C9H6)M(CO)2(η-C3H5)](M = Mo 5 or W 6). The crystal structure of 5 has been determined. Reaction of the cinnamyl complex [MoBr(MeCN)2(CO)2(η-C3H4Ph)]

  Li [C 5 H 4 Fe（C 5 H 5）]与2,3,4,5-四甲基环戊-2-烯酮的反应，然后进行酸处理，得到二茂铁基取代的环戊二烯[Fe（C 5 H 5） （C 5 H 4 C 5 Me 4 H）] 1。在己烷中用LiBu n裂解1生成Li [C 5 Me 4 C 5 H 4 Fe（C 5 H 5）]。该盐或前述的3,4-二甲基环戊二烯酸锂或茚化物同系物Li [C 5 H 2 Me 2 C 5 H 4 Fe（C 5 H 5）]或Li [C 9 H 6 C 5 H 4 Fe （C 5 H ^ 5）]，用烯丙基配合物[MoBr（MeCN中）2（CO）2（η-C 3 H ^ 5）]或[WCL（MeCN中）2（CO）2 - （η-C 3 H ^ 5）]导致相应的富富烯（及相关）桥联的Fe–Mo或Fe–W异双金属衍生物[（C 5 H 5）Fe（C 5 H 4 C 5 Me 4）Mo（CO）2（η-C