(η5-C5H5)RuCl2(η3-crotyl) | 110096-85-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (η5-C5H5)RuCl2(η3-crotyl)
• CAS: 110096-85-0
• 化学式: C₉H₁₂Cl₂Ru
• 分子量: 292.17
• InChiKey: RIQZZYDWGVGZBS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (cyclooctadienyl)(cyclopentadienyl)ruthenium chloride 、 3-氯-1-丁烯 以 乙醇 为溶剂， 以92%的产率得到(η5-C5H5)RuCl2(η3-crotyl)
  参考文献：
  名称：

  Albers, Michel O.; Liles, David C.; Robinson, David J., Organometallics, 1987, vol. 6, # 11, p. 2347 - 2354

  摘要：

  DOI：

文献信息

• Interconversion between (C5R5) RuIV(allyl) and (C5R5) RuII(diene) complexes
  作者：Katsuyuki Masuda、Mikio Saitoh、Katsuyuki Aoki、Kenji Itoh

  DOI：10.1016/0022-328x(94)80129-0

  日期：1994.6

  When CpRu(eta3-crotyl)Cl2 complex (1a; Cp = eta5-C5H5) was eluted with a silica-gel column, a methyl C-H bond of 1a was activated to give CpRu(eta4-butadiene)Cl (2). Similar activation occurred for CpRu(eta3-prenyl)Cl2 (1b) and Cp*Ru(eta3-crotyl)Cl2 (1c; Cp* = eta3-C5Me5) to give the corresponding diene Ru(II) complexes. This conversion depends on retention time on a silica-gel column, and character of supports. However, the reaction of [Cp*RuCl2]2 with prenyl chloride did not give the expected prenyl complex, but instead gave Cp*Ru(syn-1-chloromethyl-eta3-methallyl)Cl2 (3a). Another 1-chloromethyl-methallyl anti-stereoisomer (4a) was obtained by treatment of [Cp*RuCl3]2 with isoprene. The structures of these two isomeric 1-chloromethyl-methallyl Ru(IV) complexes were determined by X-ray diffraction studies. The analogous 1-chloromethyl-allyl complex (4b) was also obtained by treatment of [Cp*RuCl3]2 with butadiene. In these complexes, irreversible isomerization from the anti-into the more stable syn isomer took place via eta1-allyl intermediates.
• Albers, Michel O.; Liles, David C.; Robinson, David J., Organometallics, 1987, vol. 6, # 11, p. 2347 - 2354
  作者：Albers, Michel O.、Liles, David C.、Robinson, David J.、Shaver, Alan、Singleton, Eric

  DOI：——

  日期：——