tricarbonyl[η(5)-1,3-bis(pentafluorophenyl)cyclopentadienyl]rhenium(I) | 184481-07-0

• 英文名称: tricarbonyl[η(5)-1,3-bis(pentafluorophenyl)cyclopentadienyl]rhenium(I)
• CAS: 184481-07-0
• 化学式: C₂₀H₃F₁₀O₃Re
• 分子量: 667.433
• InChiKey: MRKMRPBRQHVLHP-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

• 作为产物：
  描述：

  五羰基溴铼(I) 、 sodium 1,3-bis(pentafluorophenyl)cyclopentadienide 以 not given 为溶剂， 以78%的产率得到tricarbonyl[η(5)-1,3-bis(pentafluorophenyl)cyclopentadienyl]rhenium(I)
  参考文献：
  名称：

  五氟苯基取代基对Fe，Co，Mn和Re 1的环戊二烯基配合物的结构和电子效应

  摘要：

  CpNa（Cp = C 5 H 5）与C 6 F 6（二甘醇二甲醚，110°C，14 h）反应生成了一种产物混合物，其中有两种新的三芳基环戊二烯1,2,4-Ar 3 C 5通过硅胶色谱法（Ar ＝ C 6 F 5）分离出H 3（3）和1,2,3-Ar 3 C 5 H 3（4）。二烯3和4易于转化（NaH，THF）转化为相应的三芳基环戊二烯化钠（1,2,4-Ar 3 C 5 H2）Na（7）和（1,2,3-Ar 3 C 5 H 2）Na（8）。配体7和8与FeBr 2的反应得到二茂铁（1,2,4-Ar 3 C 5 H 2）2 Fe（11）和（1,2,3-Ar 3 C 5 H 2）2 Fe（12）。钴烯（ArC 5 H 4）2 Co（13），（1,3-Ar 2 C 5H 3）2 Co（14），（1,2,4-Ar 3 C 5 H 2）2 Co（15）和（1,2,3-Ar 3 C 5 H 2）2 Co（16）为分别由CoBr

  DOI：

  10.1021/om000798v

文献信息

• Synthesis of Pentafluorophenyl-Substituted Cyclopentadienes and Their Use as Transition-Metal Ligands
  作者：Paul A. Deck、Woodward F. Jackson、Frank R. Fronczek

  DOI：10.1021/om9608216

  日期：1996.12.10

  The reaction of NaC5H5 (NaCp) and hexafluorobenzene (1:1 ratio) in THF at 25 degrees C for 15 h afforded, after hydrolysis, a mixture of regioisomeric (pentafluorophenyl)cyclopentadienes. This mixture was isolated as a monoisomeric dimer of 1-(pentafluorophenyl)cyclopentadiene. The structure of the dimer was determined crystallographically. Flash vacuum thermolytic cracking of the dimer at 200 degrees C regenerated (pentafluorophenyl)cyclopentadiene as a mixture of regioisomers. In contrast, the reaction of NaCp, NaH, and C6F6 (1:2:5 ratio) in THF at reflux for 3 d affords, after hydrolysis, 1,4-bis(pentafluorophenyl)cyclopentadiene which does not dimerize. Either the mono- or the disubsubstituted diene reacts with NaH in THF;to afford the corresponding stable substituted sodium cyclopentadienides in high yields. Sodium (pentafluorophenyl)cyclopentadienide, (C6F5)C5H4Na, reacted with FeBr2, Re(CO)(5)Br, and ZrCl4(THF)(2), to afford the transition metal complexes (eta(5)-C5H4C6F5)(2)Fe, (eta(5)-C6H4C6F5)Re(CO)(3), and (eta(5)-C5H4C6F5)(2)ZrCl2. Sodium 1,3-bis(pentafluorophenyl)cyclopentadienide reacted with FeBr2 and Re(CO)(5)Br to give the corresponding complexes [eta(5)-1,3-C5H3(C6F5)(2)]Fe-2 and [eta(5)-1,3-C5H3(C6F5)(2)]Re(CO)(3). Infrared spectroscopic analysis of the tricarbonylrhenium(I) complexes and cyclic voltammetric analysis of the substituted ferrocenes quantified the strong electron-withdrawing effects of the pentafluorophenyl substituents.