[PtMe(CH(CO2Me)2)(2,9-dimethyl-1,10-phenanthroline)] | 198965-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: [PtMe(CH(CO2Me)2)(2,9-dimethyl-1,10-phenanthroline)]
• CAS: 198965-75-2
• 化学式: C₂₀H₂₂N₂O₄Pt
• 分子量: 549.486
• InChiKey: MWGYWJHZQITQDO-UHFFFAOYSA-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

• 作为反应物：
  描述：

  [PtMe(CH(CO2Me)2)(2,9-dimethyl-1,10-phenanthroline)] 、 丙烯酸甲酯（MA） 以 氘代氯仿 为溶剂， 生成 [PtMe(CH(CO2Me)2)(2,9-dimethyl-1,10-phenanthroline)(methyl acrylate)]
  参考文献：
  名称：

  Molecular rearrangements in the formation of five-coordinate platinum(II) olefin complexes. Structural and mechanistic aspects

  摘要：

  The olefin addition reaction to square-planar complexes of the type [PtXMe(N-N)] (X=Cl,CH(CO2Me)(2), N-N=bidentate nitrogen ligand), to form trigonal bipyramidal complexes has been shown to occur in two successive steps. First, a five-coordinate species (A) is formed in which the axial positions are occupied by the methyl group and by one nitrogen atom. In most cases this subsequently rearranges to the more stable isomer (B), in which both axial positions are occupied by the anionic ligands. The structure of the type A complex [PtMe{CH(CO2Me)(2)} (E-NCCH=CHCN) (dmphen)] has been determined by an X-ray diffraction study (triclinic, space group (No. 2), a = 9.497(3), b = 10.884(4), c = 15.671(4) Angstrom,alpha = 75.62(3), beta = 78.47(2), gamma = 66.52(3)degrees, Z=2). For the first time the equatorial-axial coordination of the dmphen ligand has been unequivocally ascertained. The molecule reveals a significant tension due to the short contacts between the methyl groups. The electronic and steric factors affecting the relative stability of type A and B species are discussed, and a mechanism for the overall process is proposed. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05672-7
• 作为产物：
  描述：

  [PtMe(2,9-dimethyl-1,10-phenanthroline)Cl] 、 丙二酸二甲酯 在 t-BuOK 作用下， 以 四氢呋喃 为溶剂， 以10%的产率得到[PtMe(CH(CO2Me)2)(2,9-dimethyl-1,10-phenanthroline)]
  参考文献：
  名称：

  Molecular rearrangements in the formation of five-coordinate platinum(II) olefin complexes. Structural and mechanistic aspects

  摘要：

  The olefin addition reaction to square-planar complexes of the type [PtXMe(N-N)] (X=Cl,CH(CO2Me)(2), N-N=bidentate nitrogen ligand), to form trigonal bipyramidal complexes has been shown to occur in two successive steps. First, a five-coordinate species (A) is formed in which the axial positions are occupied by the methyl group and by one nitrogen atom. In most cases this subsequently rearranges to the more stable isomer (B), in which both axial positions are occupied by the anionic ligands. The structure of the type A complex [PtMe{CH(CO2Me)(2)} (E-NCCH=CHCN) (dmphen)] has been determined by an X-ray diffraction study (triclinic, space group (No. 2), a = 9.497(3), b = 10.884(4), c = 15.671(4) Angstrom,alpha = 75.62(3), beta = 78.47(2), gamma = 66.52(3)degrees, Z=2). For the first time the equatorial-axial coordination of the dmphen ligand has been unequivocally ascertained. The molecule reveals a significant tension due to the short contacts between the methyl groups. The electronic and steric factors affecting the relative stability of type A and B species are discussed, and a mechanism for the overall process is proposed. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05672-7