cis-I(dibenzylsulfoxide)Pt(μ-I)2Pt(dibenzylsulfoxide)I | 560086-65-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cis-I(dibenzylsulfoxide)Pt(μ-I)2Pt(dibenzylsulfoxide)I
• 英文别名: I(dibenzylsulfoxide)Pt(μ-I)2Pt(dibenzylsulfoxide)I
• CAS: 560086-65-9
• 化学式: C₂₈H₂₈I₄O₂Pt₂S₂
• 分子量: 1358.44
• InChiKey: XOSKMMRMMVPKQJ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -5.72
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  嘧啶 、 cis-I(dibenzylsulfoxide)Pt(μ-I)2Pt(dibenzylsulfoxide)I 以 二氯甲烷 为溶剂， 以65%的产率得到trans-Pt(dibenzylsulfoxide)(pyrimidine)I2
  参考文献：
  名称：

  Synthesis and characterization of the iodo-bridged Pt(II) complexes {Pt(R2SO)I}2(μ-I)2 and of trans-Pt(R2SO)(pyrimidine)I2

  摘要：

  The reactions of K-2[PtI4] with sulfoxides produce the iodo-bridged dinuclear species (R2SO)IPt(mu-I)(2)Pt(R2SO)I, which have shown two resonances in Pt-195 NMR spectroscopy at average values of -4933 and -4827 ppm. The signals have been assigned to the presence of cis and trans dimeric isomers in solution. The compounds with di-n-propylsulfoxide and dibenzylsulfoxide were studied by X-ray diffraction methods and the results have shown that the two sulfoxide ligands are in trans positions. The reactions of these dimers with pyrimidine (pm) gave the compounds trans-Pt(R2SO)(pm)I-2. The Pt-195 chemical shifts of these complexes vary between -4387 and -4438 ppm. The Pt-195 coupling constants with the atoms of pyrimidine (3)J(Pt-195-H-1(2)), (3)J(Pt-195-H-1(6)) and (3)J(Pt-195-C-13(5)) are (ave.) 22, 32 and 28 Hz, respectively, suggesting a trans configuration. A few Pt-195 coupling constants with the sulfoxide atoms were observed. The (2)J vary between 56 and 71 Hz, while the (3)J are between 15 and 27 Hz. The crystal structures of the compounds with dimethylsulfoxide, di-n-propylsulfoxide and tetramethylenesulfoxide were determined, confirming the trans geometry. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01394-4
• 作为产物：
  描述：

  potassium tetrachloroplatinate(II) 、 二苄基亚砜 、 potassium iodide 以 水 为溶剂， 以70%的产率得到cis-I(dibenzylsulfoxide)Pt(μ-I)2Pt(dibenzylsulfoxide)I
  参考文献：
  名称：

  Synthesis and characterization of the iodo-bridged Pt(II) complexes {Pt(R2SO)I}2(μ-I)2 and of trans-Pt(R2SO)(pyrimidine)I2

  摘要：

  The reactions of K-2[PtI4] with sulfoxides produce the iodo-bridged dinuclear species (R2SO)IPt(mu-I)(2)Pt(R2SO)I, which have shown two resonances in Pt-195 NMR spectroscopy at average values of -4933 and -4827 ppm. The signals have been assigned to the presence of cis and trans dimeric isomers in solution. The compounds with di-n-propylsulfoxide and dibenzylsulfoxide were studied by X-ray diffraction methods and the results have shown that the two sulfoxide ligands are in trans positions. The reactions of these dimers with pyrimidine (pm) gave the compounds trans-Pt(R2SO)(pm)I-2. The Pt-195 chemical shifts of these complexes vary between -4387 and -4438 ppm. The Pt-195 coupling constants with the atoms of pyrimidine (3)J(Pt-195-H-1(2)), (3)J(Pt-195-H-1(6)) and (3)J(Pt-195-C-13(5)) are (ave.) 22, 32 and 28 Hz, respectively, suggesting a trans configuration. A few Pt-195 coupling constants with the sulfoxide atoms were observed. The (2)J vary between 56 and 71 Hz, while the (3)J are between 15 and 27 Hz. The crystal structures of the compounds with dimethylsulfoxide, di-n-propylsulfoxide and tetramethylenesulfoxide were determined, confirming the trans geometry. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01394-4