[Cp(CO)2Fe(CH2=CHC3H7)]BPh4 | 176377-50-7

• 英文名称: [Cp(CO)2Fe(CH2=CHC3H7)]BPh4
• CAS: 176377-50-7
• 化学式: C₁₂H₁₅FeO₂*C₂₄H₂₀B
• 分子量: 566.331
• InChiKey: MQSPCZHVHLKPNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  [Cp(CO)2Fe(CH2=CHC3H7)]BPh4 、 sodium iodide 以 丙酮 为溶剂， 生成 dicarbonylcyclopentadienyliodoiron(II)
  参考文献：
  名称：

  A study of β-hydride abstraction from alkanediyl homobimetallic complexes [{Cp(CO)2Fe}2{μ-(CnH2n)}] (n=4–10, Cp=η5-C5H5)

  摘要：

  The alkyl-bridged iron(II) Complexes [{CP(CO)(2)Fe}(2)(mu-(CnH2n)}] (n = 6-10, Cp = eta(5) -C5H5) undergo both single and double hydride abstraction when reacted with one equivalent of Ph3CPF6 to give both the monocationic complexes, [{CP(CO)(2)Fe}(2){mu-(CnH2n-1)}]PF6, and the dicationic complexes, [{CP(CO)(2)Fe}(2){mu-(CnH2n-2)}](PF6)(2). The ratios of monocationic to dicationic complexes decrease with the increase in the value of n. The complexes where it = 4 and 5 undergo only single hydride abstraction under similar conditions. When reacted with two equivalents of Ph3CPF6, the complexes where n = 6-10 undergo double hydride abstraction to give dicationic complexes only. In contrast, the complex where n = 5 gives equal amounts of the monocationic and the dicationic complexes, while the complex where n = 4 only gives the monocationic complex. H-1 and C-13 NMR data show that in the monocationic complexes one metal is cy-bonded to the carbenium ion moiety while the other is bonded in a eta(2)-fashion forming a chiral metal] acylopropane type structure. In the dicationic complexes both metals are bonded in the eta(2) -fashion. The monocationic complexes where n = 4-6, react with methanol to give ill-alkenyl complexes[Cp(CO)(2)Fe(CH2)(n)CH=CH2] (eta = 2-4) as the major products and sigma-bonded ether products [{CP(CO)(2)-Fe}(2){mu-(CH2)(n),CH(OCH3)CH2)] as the minor products. The complex where n = 8 reacted with iso-propanol to give the eta(1)-alkenyl complex [CP(CO)(2)Fe(CH2)(6)CH=CH2]. The dicationic complexes where n = 5, 8 and 9 were reacted with NaI to give the respective alpha,omega-diencs and [CP(CO)(2)FeI]. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.11.017
• 作为产物：
  描述：

  [(Cp(CO)2Fe)2(μ-C5H8)](PF6)2 、 四苯硼钠 以 丙酮 为溶剂， 生成 [Cp(CO)2Fe(CH2=CHC3H7)]BPh4
  参考文献：
  名称：

  A study of β-hydride abstraction from alkanediyl homobimetallic complexes [{Cp(CO)2Fe}2{μ-(CnH2n)}] (n=4–10, Cp=η5-C5H5)

  摘要：

  The alkyl-bridged iron(II) Complexes [{CP(CO)(2)Fe}(2)(mu-(CnH2n)}] (n = 6-10, Cp = eta(5) -C5H5) undergo both single and double hydride abstraction when reacted with one equivalent of Ph3CPF6 to give both the monocationic complexes, [{CP(CO)(2)Fe}(2){mu-(CnH2n-1)}]PF6, and the dicationic complexes, [{CP(CO)(2)Fe}(2){mu-(CnH2n-2)}](PF6)(2). The ratios of monocationic to dicationic complexes decrease with the increase in the value of n. The complexes where it = 4 and 5 undergo only single hydride abstraction under similar conditions. When reacted with two equivalents of Ph3CPF6, the complexes where n = 6-10 undergo double hydride abstraction to give dicationic complexes only. In contrast, the complex where n = 5 gives equal amounts of the monocationic and the dicationic complexes, while the complex where n = 4 only gives the monocationic complex. H-1 and C-13 NMR data show that in the monocationic complexes one metal is cy-bonded to the carbenium ion moiety while the other is bonded in a eta(2)-fashion forming a chiral metal] acylopropane type structure. In the dicationic complexes both metals are bonded in the eta(2) -fashion. The monocationic complexes where n = 4-6, react with methanol to give ill-alkenyl complexes[Cp(CO)(2)Fe(CH2)(n)CH=CH2] (eta = 2-4) as the major products and sigma-bonded ether products [{CP(CO)(2)-Fe}(2){mu-(CH2)(n),CH(OCH3)CH2)] as the minor products. The complex where n = 8 reacted with iso-propanol to give the eta(1)-alkenyl complex [CP(CO)(2)Fe(CH2)(6)CH=CH2]. The dicationic complexes where n = 5, 8 and 9 were reacted with NaI to give the respective alpha,omega-diencs and [CP(CO)(2)FeI]. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.11.017

文献信息

• Synthesis, characterization and structure of the ethylene-bridged dimer [Cp(CO)2RuCH2CH2RU(CO)2Cp] and comparison of its reactivity with that of [Cp(CO)2RuCH2CH3] and [CpCO)2Ru(CH2)5Ru(CO)2Cp]: models for Fischer-Tropsch surface intermediates
  作者：Mansoor A. Gafoor、Alan T. Hutton、John R. Moss

  DOI：10.1016/0022-328x(95)05897-x

  日期：1996.3

  trans arrangement. The use of 1 as a model for ethylene on a metal catalyst surface is explored and some reactivity studies of 1 are described. Some reactions of [Cp(Co)2RuCH2CH3] (2) are also reported and compared with the reactions found for 1. A reaction sequence of the pentamethylene-bridged compound [Cp(CO)2Ru(CH2)5Ru(CO)2Cp] (3) is found to give a high yield of 1-pentene.

  的二钌亚乙基桥连络合物的[CP（Co）的2 RUCH 2 CH 2的Ru（CO）2的CP]（CP = η 5 -C 5 H ^ 5）（1）已经制备由两种不同的合成路线。该复合物已通过IR，1 H和13 C NMR光谱，质谱和X射线晶体学进行了充分表征。配合物在三斜空间群中结晶。将该结构精制为R（F）= 0.029并显示CPRu（CO）2单元是中心对称地键合在反式乙烯片段的每个末端上安排。探索了使用1作为金属催化剂表面乙烯的模型，并描述了1的一些反应性研究。还报告了[CP（Co）2 RuCH 2 CH 3 ]（2）的一些反应，并将其与1的反应进行了比较。发现五亚甲基桥连的化合物[CP（CO）2 Ru（CH 2）5 Ru（CO）2 CP]（3）的反应顺序产生高产率的1-戊烯。