(η5-C5H5)Fe(CO)2OCOCF3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (η5-C5H5)Fe(CO)2OCOCF3
• 化学式: C₉H₅F₃FeO₄
• 分子量: 289.979
• InChiKey: HHVPCFQSFNQIFL-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  (η5-C5H5)Fe(CO)2CH2CH2C6H5 、 三氟乙酸 在 (CF₃CO)O 作用下， 以 二氯甲烷 为溶剂， 生成 (η5-C5H5)Fe(CO)2OCOCF3
  参考文献：
  名称：

  在η的ironcarbonσ键的裂解的动力学研究5 -C 5 H ^ 5的Fe（CO）2 - [R由卤代乙酸

  摘要：

  η的反应速率5 -C 5 H ^ 5的Fe（CO）2 R（R =烷基和芳基）与CF 3 CO 2小时，得到η 5 -C 5 H ^ 5的Fe（CO）2 OC（O） CF 3和RH通过红外光谱法，测压法和体积法在有机溶剂中（主要在25°C下）进行了研究。当R =烷基，CH裂解2氯2是在η一阶5 -C 5 H ^ 5的Fe（CO）2 R和第一级在CF 3 CO 2在酸浓度ħ单体⪆0.1中号在η，但一阶5 -C 5 H ^ 5的Fe（CO）2在CF R和二阶3 CO 2在较低酸浓度ħmonemer。二级速率常数对R的依赖性遵循C 5 H 5 > CH 5 Si（CH 3）3（> 110）> CH 3（32）> nC 4 H 9（15）> C 2 H 5的顺序（11）> CH 2 C（CH 3）3（6.2）> CH 2CH 2 C 6 H 5（5.3）> CH（CH 3）C 6 H 5（〜1.2）⪆CH

  DOI：

  10.1016/s0022-328x(00)90296-1

文献信息

• Regiospecific formation of cyclopropylcarbinyl compounds in the reaction of but-3-enyliron complexes with electrophilic and radical reagents
  作者：Adrian Bury、Michael D. Johnson、Malcolm J. Stewart

  DOI：10.1039/c39800000622

  日期：——

  3-Methylbut-3-enyldicarbonyl-η5-cyclopentadienyliron(II) reacts regiospecifically with free radicals (Cl3C·, Br3C·, ArSO2·) and with electrophiles (CF3CO2H) at the δ-carbon of the butenyl ligand, resulting in displacement of the metal and the formation of cyclopropylcarbinyl compounds in high yield.

  3-甲基丁-3- enyldicarbonyl- η 5 -cyclopentadienyliron（II）反应区域专一性与自由基（CL 3 C·，溴3 C·，ARSO 2 ·），并与亲电（CF 3 CO 2在δ -碳1H）丁烯基配体的生成，导致金属置换并以高收率形成环丙基羰基化合物。
• Bly, Robert S.; Raja, Muthukrishna, Organometallics, 1990, vol. 9, # 5, p. 1500 - 1508
  作者：Bly, Robert S.、Raja, Muthukrishna

  DOI：——

  日期：——
• A study of β-hydride abstraction from alkanediyl homobimetallic complexes [{Cp(CO)2Fe}2{μ-(CnH2n)}] (n=4–10, Cp=η5-C5H5)
  作者：Evans O. Changamu、Holger B. Friedrich

  DOI：10.1016/j.jorganchem.2006.11.017

  日期：2007.2

  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.
• Substitution and cleavage in the reaction of some benzyl(carbonyl)metal complexes with trifluoroacetic acid
  作者：Stewart N. Anderson、Christopher J. Cooksey、Steven G. Holton、Michael D. Johnson

  DOI：10.1021/ja00527a031

  日期：1980.3
• Further reactions of [(η-C5H5)(CO)2FeC(S)SMLn] (MLn = Fe(η-C5H5)(CO)2, Re(CO)5) with organic electrophiles
  作者：L. Busetto、S. Bordoni、V. Zanotti

  DOI：10.1016/0022-328x(88)80532-1

  日期：1988.1