(η5-C5H5)Fe(CO)2SiPh3 | 36835-55-9

• 英文名称: (η5-C5H5)Fe(CO)2SiPh3
• 英文别名: (η⁵-C₅H₅)Fe(CO)₂SiPh₃；FpSiPh3；[(η5-C5H5)Fe(CO)2(SiPh3)]
• CAS: 36835-55-9
• 化学式: C₂₅H₂₀FeO₂Si
• 分子量: 436.365
• InChiKey: ZVYHWSKMRPFJSZ-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：

  dicarbonyl(cyclopentadienyl)methyliron(II) 、 (η5-C5H5)Fe(CO)2SiPh3 以 氘代苯 为溶剂， 反应 60.0h， 以81%的产率得到甲基三苯基硅烷
  参考文献：
  名称：

  通过 (η5-C5H5)Fe(CO)2SiR3 和 (η5-C5H5)Fe(CO)2Me 的光化学辐照形成硅-碳键以获得 R3SiMe

  摘要：

  (η 5 -C 5 H 5 )Fe(CO) 2 SiR 3、FpSiR 3和 FpMe的等摩尔混合物的光化学照射导致有效形成硅碳耦合产物 R 3 SiMe，R 3 = Me 3 , Me 2 Ph, MePh 2 , Ph 3 , ClMe 2 , Cl 2 Me, Cl 3 , Me 2 Ar (Ar = C 6 H 4 - p -X, X = F, OMe, CF 3 , NMe 2）。类似的化学反应发生在相关的锗基和甲锡基复合物上，速率较慢，Si > Ge ≫ Sn。芳基氢取代以形成 FpSiMe 2 C 6 H 4 - p -X 对反应速率几乎没有影响，而硅上的甲基被 Cl 逐渐取代会减慢该过程。此外，将 FpMe 改为 FpCH 2 SiMe 3 会显着减慢反应速度，使用 (η 5 -C 5 Me 5 )Fe(CO) 2衍生物也是如此。涉及 16e -中间体 (η 5 -C 5 H

  DOI：

  10.1021/om901114q
• 作为产物：
  描述：

  以 环己烷 为溶剂， 以5%的产率得到FpSiMe2Ph
  参考文献：
  名称：

  Organometalloidal derivatives of transition metals. Part XXI. Synthesis and photochemical deoligomerizations of a series of isomeric disilyl iron complexes: (.eta.5-C5H5)Fe(CO)2Si2Ph3-nMe2+n)

  摘要：

  DOI：

  10.1021/ja00194a051

文献信息

• C−C Bond Cleavage of Acetonitrile by a Carbonyl Iron Complex with a Silyl Ligand
  作者：Hiroshi Nakazawa、Takafumi Kawasaki、Katsuhiko Miyoshi、Cherumuttathu H. Suresh、Nobuaki Koga

  DOI：10.1021/om0208319

  日期：2004.1.1

  acetonitrile on the Fe coordination sphere with the activation energy of 15.0 kcal/mol take place to give Cp(CO)MeFe(CNSiMe3). The isolation of an iron complex with a methyl group derived from acetonitrile and a silylisocyanide ligand was attained in the photoreaction of Cp(CO)2Fe(SiPh3) in MeCN in the presence of PPh3. The product Cp (PPh3)MeFe(CNSiPh3) was confirmed by the X-ray structure analysis. The

  甲硅烷基铁配合物Cp（CO）2 Fe（SiMe 3）（1）在P（NMeCH 2）2（OMe）（L）存在下在乙腈中的光反应产生Cp（CO）LFeMe（2），CpL 2 FeMe（3）和CpL 2 Fe（CN）（4），表明实现了乙腈的碳-碳键裂解。这些C-C键裂解产物也是在L存在下，在THF中与1当量的MeCN在1中进行光反应而获得的。与CD 3 CN的反应表明，产物中铁的甲基衍生自乙腈。Cp（CO）的相应反应2 Fe（ER 3）（ER 3 = CH 3，GeMe 3，SnMe 3）生成了CO / L交换配合物Cp（CO）LFe（ER 3），表明铁上的甲硅烷基配体对于C是必不可少的乙腈的-C键裂解。使用杂化DFT-B3LYP方法进行了C-C键断裂的理论研究。乙腈对16e物种Cp（CO）Fe（SiMe 3）的直接C-C键氧化加成反应容易从1形成在光反应条件下，具有52.7kcal / mol的非
• Pannell, Keith H.; Sharma, Sneh, Organometallics, 1991, vol. 10, # 6, p. 1655 - 1656
  作者：Pannell, Keith H.、Sharma, Sneh

  DOI：——

  日期：——
• A New Approach to Directly Synthesize (η⁵-C₅H₄R)Fe(CO)₂SiR′₃ by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes
  作者：Guangna Gu、Haiou Luo、Huailin Sun

  DOI：10.1021/om500066y

  日期：2014.4.14

  A new approach to the direct synthesis of Fe Si-bonded complexes (eta(5)-C5H4R)Fe(CO)(2)SiR'(3) (1) by the reaction of cyclopentadienes C5H5R (2) with pentacarbonyliron in the presence of hydrosilanes R'3SiH (5) has been developed. Thus, when the reaction of 2 and pentacarbonyliron in refluxing p-xylene was performed in the presence of 5, the desired complexes were successfully obtained in good yields, providing a simple one-step synthetic route to obtain 1 from the readily available starting materials, wherein the substituents R and R' could vary over a wide range: C5H5R = C3H5SiMe2SiMe3, R'(3) = Ph-3 (la); C5H5R = C5H5SiMe2SiMe2Ph, R'(3) = Ph-3 (1h); C5H5R = C5H5SiMe2SiMePh2, = Ph-3 (1f); C5H5R = C5H5SiMe2SiPh3, R'(3) = Ph-3 (1d); C5H5R = C(5)H(5)SiPh(2)StPh(3), R'(3) = Ph-3 (1e); C5H5R = C5H5SiMe3, R'(3) = Ph-3 (1o; C5H5R = C5H6, R'(3) = Ph-3 (1g);C5H5R = CsHsMe, R'(3) = Ph3 (1h);C5H5R = C5H5CH2Ph, R'(3) = Ph-3 (1i);C5H5R = MeC5H4SiM03, R'(3) = Ph3 (10; C5H5R=C9H8, R'(3) = Ph3 (1k);C5H5R = C5H5SiMe2SiMe2Ph, R'(3) = Me2Ph (1i); C5H5R = C5H5SiMe2Ph3, R'(3) = Me2Ph (1m); C5H5R = C(5)H(5)SiPh(2)StPh(3), R'(3) = Me2Ph (In);C5H5R = C5H5CH2Ph, R'(3) = MezPh (10). A plausible mechanism involving interception of coordinatively unsaturated iron species (eta(4)-C5H5R)Fe(CO)(2) by oxidative addition of the Si H bond is believed to be responsible for the preferred formation of the desired product.
• Pannell, Keith H.; Cervantes, Jorge; Hernandez, Carlos, Organometallics, 1986, vol. 5, # 5, p. 1056 - 1057
  作者：Pannell, Keith H.、Cervantes, Jorge、Hernandez, Carlos、Cassias, Jeff、Vincenti, Steven

  DOI：——

  日期：——