Cyclopenta-2,4-dien-1-yl-[dimethyl(phenyl)silyl]-dimethylsilane | 1589503-57-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Cyclopenta-2,4-dien-1-yl-[dimethyl(phenyl)silyl]-dimethylsilane
• 英文别名: cyclopenta-2,4-dien-1-yl-[dimethyl(phenyl)silyl]-dimethylsilane
• CAS: 1589503-57-0
• 化学式: C₁₅H₂₂Si₂
• 分子量: 258.511
• InChiKey: AEYWLKKFWYKIJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  五羰基铁 、 Cyclopenta-2,4-dien-1-yl-[dimethyl(phenyl)silyl]-dimethylsilane 、 三苯基硅烷 以 对二甲苯 为溶剂， 反应 24.0h， 以1.38 g的产率得到(η5-C5H4SiMe2SiMe2Ph)Fe(CO)2SiPh3
  参考文献：
  名称：

  A New Approach to Directly Synthesize (η⁵-C₅H₄R)Fe(CO)₂SiR′₃ by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes

  摘要：

  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.

  DOI：

  10.1021/om500066y

文献信息

• 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.