[(p-cymene)Ru(C14H12NO4)Cl] | 252573-97-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [(p-cymene)Ru(C14H12NO4)Cl]
• 英文别名: chlororuthenium(1+);1-(2-methoxycarbonylphenyl)-2-methyl-4-oxopyridin-3-olate;1-methyl-4-propan-2-ylbenzene
• CAS: 252573-97-0
• 化学式: C₂₄H₂₆ClNO₄Ru
• 分子量: 528.998
• InChiKey: GVFNLZDSGJCPGQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 N-(2-methoxycarbonyl-phenyl)-3-hydroxy-2-methyl-4-pyridon 在 NaOMe 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以82%的产率得到[(p-cymene)Ru(C14H12NO4)Cl]
  参考文献：
  名称：

  Halfsandwich complexes of ruthenium(II), rhodium(III) and iridium(III) with N-substituted 3-hydroxy-2-methyl-4-pyridone ligands

  摘要：

  The synthesis and characterization of (p-cymene)Ru-II, Cp*Rh-III and Cp*Ir-III complexes with N-alkyl and N-aryl substituted 3-hydroxy-2-methyl-4-pyridone ligands is reported. All compounds display an unusually high solubility in water. With the chiral ligand N-(o-C6H4CO2Me)-3-hydroxy-2-methyl-4-pyridone two isomers were obtained but no diastereoselectivity was observed. The structure of [(p-cymene)Ru(C9H12NO2)Cl] (2) was determined by single crystal X-ray diffraction. Reactions of [p-cymene) Ru(C7H8NO2)Cl] (1) with n-butylamine and triphenylphosphine were shown to result in substitution of the chloride ligand. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00280-7