(η5-C5H5)Fe(CO)2CH(CH3)C6H5

• 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: (η5-C5H5)Fe(CO)2CH(CH3)C6H5
• 英文别名: 1-phenylethyl-Fe(CO)2(C5H5)
• 化学式: C₁₅H₁₄FeO₂
• 分子量: 282.122
• InChiKey: UVQFEWZILQRQSK-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：

  (η5-C5H5)Fe(CO)2CH(CH3)C6H5 在 tetramethylpiperidinyl-1-oxy 作用下， 以 氘代苯 为溶剂， 生成 cyclopentadienyl iron(II) dicarbonyl dimer
  参考文献：
  名称：

  Cp（CO）n M-CH（CH 3）C 6 H 5（n = 2，MFe，Ru; n = 3，MMo，W）的热解。过渡金属烷基键解离能的一些垂直趋势

  摘要：

  阐明了一系列化合物CP（CO）n M-CH（CH 3）C 6 H 5（n = 2，MFe，Ru; n = 3，MMo，W的产物和热分解动力学），在苯中不存在和存在自由基陷阱的情况下，均聚键解离反应的Cp（CO）n M-CH（CH 3）C 6 H的ΔH ‡（kcal / mol）为以下值5 →Cp（CO）n M·+·CH（CH 3）C 6 H 5：Fe，29.6； n，6。茹34.6; 莫26.6; W，30.6。相应的M-CH（CH 3）C6 H 5键解离能分别推导为28、33、25和29 kcal / mol。

  DOI：

  10.1016/0022-328x(92)83242-a
• 作为产物：
  描述：

  cyclopentadienyl iron(II) dicarbonyl dimer 、 (1-溴乙基)苯 在 sodium 、 汞 作用下， 以 四氢呋喃 为溶剂， 以10%的产率得到(η5-C5H5)Fe(CO)2CH(CH3)C6H5
  参考文献：
  名称：

  Li, Hong-ju; Turnbull, Mark M., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1993, vol. 23, p. 797 - 808

  摘要：

  DOI：

文献信息

• Studies on the abstraction of small molecules from organometallic compounds by Rh(PPh3)3Cl
  作者：Erven J. Kuhlmann、John J. Alexander

  DOI：10.1016/s0020-1693(00)94702-9

  日期：1979.1

  Abstract The synthetic utility of Rh(PPh 3 ) 3 Cl for the abstraction of small molecules from some cyclopentadienyl iron carbonyl complexes is discussed with attention to mechanism. Terminal carbonyl and thiocarbonyl ligands are found to be removed preferentially. Experimental evidence suggests that the reaction proceeds by nucleophilic attack on the coordinated ligand by Rh(PPh 3 ) 2 Cl.

  摘要讨论了Rh（PPh 3）3 Cl从某些环戊二烯基羰基铁络合物中提取小分子的合成实用性。发现末端羰基和硫代羰基配体被优先去除。实验证据表明，反应是通过Rh（PPh 3）2 Cl对配体的亲核攻击而进行的。
• On the mechanism of acidic hydrogen isotopic exchange in transition metal σ-benzyl-π-cyclopentadienyldicarbonyl complexes
  作者：T.Yu. Orlova、V.N. Setkina、D.N. Kursanov

  DOI：10.1016/s0020-1693(00)88329-2

  日期：1981.1

  Abstract The hydrogen isotopic exchange reaction in Fe, Mo and W σ-benzyl-π-cyclopentadienyl complexes has been discovered and studied. The reaction mechanism has been investigated by means of the stereochemical indication, kinetic effect etc. techniques.

  摘要发现并研究了Fe，Mo和Wσ-苄基-π-环戊二烯基络合物中的氢同位素交换反应。已经通过立体化学指示，动力学效应等技术研究了反应机理。
• Reduction of acyl ligand in transition-metal complexes by catalytic hydrosilylation
  作者：Munetaka Akita、Osamu Mitani、Masahiro Sayama、Yoshihiko Morooka

  DOI：10.1021/om00051a034

  日期：1991.5

  Hydrosilylation of acyl-transition-metal complexes M-C(O)R (1) with H2SiPh2 in the presence of a catalytic amount of RhCl(PPh3)3 leads to the formation of the corresponding alpha-siloxyalkyl complexes M-CH(OSiHPh2)R (2). In case 1 contains a ligand or a substituent which stabilizes a transient cationic alkylidene intermediate M+ = CHR (5), overreduction takes place to afford M-CH2R (3) via 5. The mechanism of the overreduction has been studied by using alpha-methoxyalkyl complexes M-CH(OMe)R in place of 2. In addition, the chain propagation step in the Pichler-Schulz mechanism is mimiced by combination of the overreduction and carbonylation. Thus, the acetyl ligand in CpFe(CO)(PPh3)[C(O)CH3] (1f) is elongated to the pentanoyl ligand by repeating the homologation three times. Transformation of 1 to an alpha-alkoxyalkyl complex and an alpha-hydroxycarboxylic acid ester is also described.
• CpFe(CO)2H: a reassessment of the literature
  作者：Stuart B. Fergusson、Laura J. Sanderson、Thomas A. Shackleton、Michael C. Baird

  DOI：10.1016/s0020-1693(00)82505-0

  日期：1984.3
• Li, Hong-ju; Turnbull, Mark M., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1993, vol. 23, p. 797 - 808
  作者：Li, Hong-ju、Turnbull, Mark M.

  DOI：——

  日期：——