trans-bis(N-benzoyl-N',N'-di(n-butyl)thiourea-S)diiodoplatinum(II) | 201741-72-2

• 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: trans-bis(N-benzoyl-N',N'-di(n-butyl)thiourea-S)diiodoplatinum(II)
• CAS: 201741-72-2；201816-43-5；148482-86-4
• 化学式: C₃₂H₄₈I₂N₄O₂PtS₂
• 分子量: 1033.78
• InChiKey: TVVZAIAFZIEBMO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  43.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.68
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  cis-bis(N-benzoyl-N',N-di(n-butyl)thioureato-S,O)platinum(II) 、 氢碘酸 以 乙醇 、 氯仿 为溶剂， 以37.8%的产率得到trans-bis(N-benzoyl-N',N'-di(n-butyl)thiourea-S)diiodoplatinum(II)
  参考文献：
  名称：

  Protonation mediated interchange between mono- and bidentate coordination of N-benzoyl-N′,N′-dialkylthioureas: crystal structure of trans-bis(N-benzoyl-N′,N′-di(n-butyl)thiourea-S)-diiodoplatinum(II)

  摘要：

  Treatment of a chloroform/ethanol solution of cis-bis(N-benzoyl-N',N'-di(n-butyl)thioureato-S,O)platinum(II) with an excess HI quantitatively converts the former cis complex into trans-bis(N-benzoyl-N', N'-di(n-butyl)thioureau-S)diiodoplatinum(II). The crystal structure of the latter complex is reported and represents the first example of a Pt(II) complex in which the amidic O-donor atom of the usually bidentate N-benzoyl-N',N'-di(butyl)thiourea ligand (HL) is pendant. In chloroform-d(3) solution, the trans-[Pt(HL-S)(2)I-2] complex rapidly isomerizes to give a 1:4 mixture of the cis and trans isomers, as can be seen in the H-1 and Pt-195 NMR spectra. (C) 1998 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00272-x