[ruthenium(0)(η4-1,3-cyclohexadiene)(η4-1,5-COD)(P(OMe)3)] | 1373229-65-2

• 英文名称: [ruthenium(0)(η4-1,3-cyclohexadiene)(η4-1,5-COD)(P(OMe)3)]
• CAS: 1373229-65-2
• 化学式: C₁₇H₂₉O₃PRu
• 分子量: 413.459
• InChiKey: PRISPJLHDFWHKX-PHFPKPIQSA-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：

  (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0) 、 1,3-环己二烯 、 三甲氧基磷 以 乙腈 、 苯 为溶剂， 生成 [ruthenium(0)(η4-1,3-cyclohexadiene)(η4-1,5-COD)(P(OMe)3)]
  参考文献：
  名称：

  Synthesis of conjugated diene complexes of ruthenium(0) derived from Ru(η6-naphthalene)(η4-1,5-COD): Z to E isomerisation of coordinated 1,3-pentadiene

  摘要：

  The naphthalene complex of zerovalent ruthenium, [Ru(eta(6)-C10H8)(eta(4)-1,5-COD)] (1), readily reacts with 1,3-dienes in the presence of a ligand (L) to produce complexes [Ru(eta(4)-cisoid-1,3-diene)(eta(4)-1,5-COD)(L)] [1,3-diene butadiene, 2,3-dimethylbutadiene, isoprene, 1,3-pentadiene, 2-methyl-1,3-pentadiene, 1,3-cyclohexadiene; L = MeCN, (BuCN)-Bu-t, PhCN, NCC6H4CN, CO, (BuNC)-Bu-t, pyridine, P(OMe)(3), P(OPh)(3), PMe3, PEt3, PPh3, PCy3]. The single-crystal X-ray structures of [Ru(eta(4)-cisoid-1,3-butadiene)(eta(4)-1,5-COD)(MeCN)] (2a) and [Ru{eta(4)-(E)-cisoid-1.3-pentadiene}(eta(4)-1,5-COD)(PPh3)}](E-5l) show the expected, approximately square pyramidal geometry about the metal atom, with the auxiliary ligand occupying the axial site. [Ru {eta(4)-(Z)-cisoid-1,3-pentadiene}(eta(4)-1,5-COD)(PPh3)] (Z-5l) irreversibly isomerises to E-5l in benzene-d(6) at 30 degrees C, the reaction obeying a first-order rate law [k = (2.89 +/- 0.06) x 10(-4) s(-1)]. This reaction is significantly retarded by addition of PPh3 suggesting that a vacant site is required for the E/Z isomerisation. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.02.018