[ReO(η3-SCH2C5H3NCH2S)(η1-C6H4OCH3-4-S)] | 220011-48-3

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [ReO(η3-SCH2C5H3NCH2S)(η1-C6H4OCH3-4-S)]
• CAS: 220011-48-3
• 化学式: C₁₄H₁₄NO₂ReS₃
• 分子量: 510.676
• InChiKey: VLJIWPYRLBIGQW-UHFFFAOYSA-K

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

• 作为产物：
  描述：

  2,6-双(巯基甲基)吡啶 、 [ReOCl₃(PPh₃)₂] 、 4-甲氧基苯硫酚 在 (C₂H₅)3N 作用下， 以 氯仿 为溶剂， 以65%的产率得到[ReO(η3-SCH2C5H3NCH2S)(η1-C6H4OCH3-4-S)]
  参考文献：
  名称：

  氧化or（V）–'3 + 1'混合硫醇盐[SNS] / [S]和[ONS] / [S]配合物的合成和表征。[ReO（η3-SCH2C5H3NCH2S）（η1-C6H4Br-4-S），[ReO（η3-SCH2C5H3NCH2O）（η1-C6H4X-4-S）]（X = Cl，OMe），[ReO （η3-SCH2C5H3NCH2O）（η1-C6H4OCH3-4-CH2S）]和[ReO（η3-SCH2C5H3NCH2S）（η1-C5H4NH-2-S）] [Cl]

  摘要：

  [ReOCl3（PPh3）2]与三齿配体2,6-二硫甲基吡啶（4）或6-硫甲基-2-吡啶甲醇（5）与适当的单硫醇如对位取代的苯硫醇（C6H4X-4-SH ）（其中X = F，Cl，Br和OCH3）和对位取代的苄硫醇（C6H4X-4-CH2SH）（其中X = F，Cl和OCH3）在Et3N存在下导致一系列整合的3 + 1'氧化or（V）配合物。同样，[ReOCl3（PPh3）2]与2-巯基吡啶和4的反应得到阳离子氧or（V）络合物[ReO（η3-SCH2C5H3NCH2S）（η1-C5H4NH-2-S）] [Cl]（22）。10，C13H11BrNOS3Re的晶体数据：三斜晶系，P1，a = 7.2909（5），b = 14.1978（9），c = 15.991（1）A，α= 77.184（1），β= 86.588（1），γ= 75.507 （1）°，V = 1562.69（18）A3，Z =

  DOI：

  10.1016/s0020-1693(00)00209-7

文献信息

• Oxorhenium mixed-ligand complexes with the 2,6-dimercaptomethylpyridine ligand. Crystal structure of [2,6-dimercaptomethylpyridinato][p-methoxybenzenethiolato]oxorhenium(V)
  作者：Berthold Nock、Hans-Jürgen Pietzsch、Francesco Tisato、Theodosia Maina、Peter Leibnitz、Hartmut Spies、E Chiotellis

  DOI：10.1016/s0020-1693(00)00056-6

  日期：2000.6

  Two novel oxorhenium complexes containing the 2,6-dimercaptomethylpyridine ligand were synthesized and characterized by classical methods of analysis. The [2,6-dimercaptomethylpyridinato] [p-methoxybenzenethiolato]oxohenium complex ,1 was produced by simultaneous action of equimolar quantities of 2,6-dimercaptomethylpyridine and p-methoxybenzenethiol on the precursor [(n-C4H9)(4)N][ReOCl4] in EtOH. As revealed by spectroscopic data as well as X-ray structure analysis, complex 1 adopts a distorted square pyramidal geometry around the metal with the SNS/S donors forming the basal plane and the oxygen occupying the apex of the pyramid. When the same tridentate ligand reacts with [(n-C4H9)(4)N][ReOCl3(PO)] (PO = o-diphenylphosphinophenolato) as a precursor, complex 2a, [2,6-dimercaptomethylpyridinato][o-diphenylphosphinophenolato]-ox-orhenium, is obtained. The latter is a six-coordinate rhenium species to which the distorted octahedral geometry is assigned, according to the analytical findings. In this case, the SNS/P donors occupy the equatorial plane and the two oxygen atoms the apices of the distorted octahedron positioned trans to each other. (C) 2000 Elsevier Science S.A. All rights reserved.