| 146084-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 146084-47-1
• 化学式: C₃₈H₄₈N₂P₂PtS₂
• 分子量: 853.972
• InChiKey: PJLCMNXMQREBOL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.81
• 重原子数：
  45.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (trimethylplatinum(IV) iodide)4 、 以 苯 为溶剂， 以51.6%的产率得到[(dppe)Pt(μ-SCH(CH2CH2)2NMe)2PtIMe3]
  参考文献：
  名称：

  巯基桥联铂（II）-铂（IV）双核络合物中通量的理论，结构和NMR研究

  摘要：

  摘要合成了[（dppe）Pt {μ-SCH（CH2CH2）2NME} 2PtIMe3]，并通过X射线衍射对其结构进行了表征。它由双核硫桥对映体对组成，对对映体含有折叠的PtII（μS）2PtIV环，硫醇取代基呈反式构型。1D和2D可变温度1H，13C，31P和195Pt NMR dara表明，该配合物具有几种不同的流变模式，并且与溶液中存在的四种可能的反异构体以及具有硫醇盐配体和碘的两种构象异构体一致原子以类固醇排列。对模型复合物[（H2PCH2CH2PH2）Pt（μ-SCH3）2PtIMe3]的理论上从头开始的研究导致了对不同异构体相对能量的估计，从而证实了NMR数据的解释。已经找到了最稳定的异构体之间相互转化的过渡态。NMR数据和理论结果强有力地支持了金字塔状硫转化的机理，该机理涉及两个PtIV-S键之一的分裂，然后围绕其相邻的PtII-S键旋转。

  DOI：

  10.1016/s0020-1693(97)05674-0
• 作为产物：
  描述：

  [platinum(II)dichloride(1,2-bis(diphenylphosphino)ethane)] 、 4-mercato-1-methylpiperidine, sodium salt 以 甲醇 、 乙腈 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Dipalladium and diplatinum bis(µ-alkanethiolato) complexes with a planar M₂S₂ring

  摘要：

  Mononuclear complexes of formula [M(SR)2(dppe)] (M = Pd 1 or Pt 2; R = C5H9NMe, dppe = Ph2PCH2CH2PPh2) are formed in reactions of [MCl2(dppe)] with the sodium salt of 4-mercapto-1-methylpiperidine NaSR in acetonitrile-methanol solution. Subsequent reaction of 1 with [PdCl2(dppe)] and of 2 with [PtCl2(dppe)] in acetonitrile solution produces the bridged dinuclear rationic complexes [M2(mu-SR)2(dppe)2]2+, which are obtained as crystalline salts with tetraphenylborate anions (M = Pd 3 or Pt 4). An apparently mixed PtPd product 5 is formed in an analogous reaction from 1 and [PtCl2(dppe)] or from 2 and [PdCl2(dppe)]. The structures of complexes 1-5 have been determined crystallographically. Complexes 1 and 2 are isostructural, with a slightly distorted square-planar cis-MP2S2 co-ordination geometry. The isostructural complexes 3-5 also show square-planar co-ordination; the two aminothiolate ligands act as bridges between the metal atoms, giving a precisely planar central M2S2 ring. In all five structures the MP2C2 chelate rings have a twist conformation. The nitrogen atoms of the aminothiolates are not co-ordinated to the metal atoms. Infrared and H-1, P-31 and Pt-195 NMR spectra are presented and discussed. The combined evidence suggests that 5 is essentially a simple solid-solution mixture of pure complexes 3 and 4 in variable proportions, with at most a minor component of a genuinely heterobimetallic complex.

  DOI：

  10.1039/dt9920002817