(1,4-dimethoxy-1,4-dioxo-3-phenylbut-2-en-2-yl)-phenylmercury

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (1,4-dimethoxy-1,4-dioxo-3-phenylbut-2-en-2-yl)-phenylmercury
• 化学式: C₁₈H₁₆HgO₄
• 分子量: 496.913
• InChiKey: VBHCRGRMKKFJMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  丁炔二酸二甲酯 、 二苯基汞 在 all-trans-[Ru(CO)2(PMe2Ph)Cl2] 作用下， 以 氘代氯仿 为溶剂， 生成 (1,4-dimethoxy-1,4-dioxo-3-phenylbut-2-en-2-yl)-phenylmercury
  参考文献：
  名称：

  Metal-to-metal transfer of vinyl ligands: ruthenium-catalysed synthesis of vinylmercury compounds

  摘要：

  Vinyl ligands are readily transferred from ruthenium(II) to mercury(II), giving mono- or di-vinyl mercury complexes, depending on the vinyl ligand and the reaction conditions used. In conjunction with steps involving aryl ligand transfer from mercury to ruthenium and insertion of MeO2CC = CCO2Me into the ruthenium-aryl bond, this constitutes a ruthenium-catalysed route for the conversion of [HgR2] (R = aryl) into [Hg{C(CO2Me) = C(CO2Me)R}R] and [Hg{C(CO2Me) = C(CO2Me)R}2], with alkyne insertion as the rate-limiting step. The mechanism of transfer alters according to the nature of the vinyl ligand. Reaction of [Ru(CO)2{C(CO2Me) = C(CO2Me)H}Cl(PMe2Ph)2] with HgCl2 does not lead to vinyl transfer: the product was characterized by X-ray crystallography as [activated Ru(CO)2{C(CO2Me) = C(COOMe)H}-(PMe2Ph)2][HgCl3].

  DOI：

  10.1039/dt9920000843