trans-Pt(benzylmethylsulfoxide)(pyrimidine)I2 | 560086-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: trans-Pt(benzylmethylsulfoxide)(pyrimidine)I2
• CAS: 560086-75-1
• 化学式: C₁₂H₁₄I₂N₂OPtS
• 分子量: 683.211
• InChiKey: OERMHRIGAQOWDU-CZEDPBFNSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  苄基甲基亚砜 以 二氯甲烷 、 水 为溶剂， 生成 trans-Pt(benzylmethylsulfoxide)(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

文献信息

• Pt(II) compounds with sulfoxide ligands and crystal structures of complexes of the types I(R2SO)Pt(μ-I)2Pt(R2SO)I and trans-Pt(R2SO)(L)X2 (L=amine, pyridine and pyrimidine)
  作者：Fernande D. Rochon、Christian Tessier

  DOI：10.1016/j.ica.2007.10.041

  日期：2008.6

  The crystal structures of several Pt(II) complexes containing sulfoxide ligands are described. The two iodo bridged dimers of the type I(R(2)SO) Pt(mu-I)(2)Pt(R(2)SO)I (where R is ethyl or n-butyl) are twinned structures. The dinuclear species are the trans isomers. Two compounds of the type trans-Pt(DMSO)(amine)X(2) were studied by X-ray diffraction methods. The diiodo MeNH(2) compound forms H-bonded chains, formed by maximizing the H-bonds between the amine group with the O atom of DMSO and one iodo ligand. The H-bonding pattern is quite different in the dichloro t-BuNH(2) complex. In the latter crystal, there are two independent molecules which are H-bonded in pairs. The methyl groups of DMSO and the t-butyl group of the amine are oriented towards the outside of the pairs of molecules, while the H-bonds link the two independent molecules. Again, the amino group forms the maximum H-bonds with the O atom of DMSO and one chloro ligand. The crystal structures of trans-Pt(DMSO)(pyridine)I(2) and of trans-Pt(MeBzSO)(pyrimidine)I(2) (Bz = benzyl) were also studied. In the pyridine complex, the O atom of DMSO is in the Pt(II) plane by symmetry, while in the pyrimidine compound, the C atom of the -CH(3) group is in the Pt(II) plane. The pyridine and the pyrimidine ligands are perpendicular to the Pt(II) square plane. The trans influence of the different ligands is discussed. (C) 2007 Elsevier B.V. All rights reserved.