Ru(η(6)-hexa-n-propylbenzene)(η(4)-1,5-cyclooctadiene) | 207394-29-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: Ru(η(6)-hexa-n-propylbenzene)(η(4)-1,5-cyclooctadiene)
• 英文别名: (1Z,5Z)-cycloocta-1,5-diene;1,2,3,4,5,6-hexapropylbenzene;ruthenium
• CAS: 207394-29-4
• 化学式: C₃₂H₅₄Ru
• 分子量: 539.851
• InChiKey: AVUVMNVLRHSPFW-GHDUESPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.07
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 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：

  (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0) 、 4-辛炔 以 四氢呋喃 为溶剂， 以90%的产率得到Ru(η(6)-hexa-n-propylbenzene)(η(4)-1,5-cyclooctadiene)
  参考文献：
  名称：

  Stoichiometric alkyne cyclotrimerization at a ruthenium centre: A new synthetic route to Ru(η6-arene)(η4-cycloocta-1,5-diene) complexes

  摘要：

  Alkynes RC2R' [R = H, R' = Bu-n, CH2CMeEt, (CH2)(5)C2H; R = R' = Me, Ph; R = Me, R' = Pr-n] undergo stoichiometric cyclotrimerization on reaction with the naphthalene-ruthenium(0) complex Ru(eta(6)-C10H8)(eta(4)-C8H12), 1, at room temperature to give the corresponding Ru(eta(6)-arene)(eta 4-C8H12) complexes in moderate to excellent yield. Unsymmetrical alkynes give a mixture of the isomeric eta(6)-1,3,5-(a) and eta(6)-1,2,4-arene (b) complexes, the ratio a:b being dependent on the electronic and steric effects of R and R'. In the presence of 1, 1-hexyne and 4-methyl-1-hexyne cocyclotrimerize with acetonitrile to give substituted pyridines, which are formed in addition to the Ru(eta(6)-arene)(eta(4)-C8H12) complexes. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00425-7