2,3-bis(n-propylthiomethyl)quinoxaline | 1189332-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,3-bis(n-propylthiomethyl)quinoxaline
• 英文别名: 2,3-Bis(propylsulfanylmethyl)quinoxaline
• CAS: 1189332-51-1
• 化学式: C₁₆H₂₂N₂S₂
• 分子量: 306.496
• InChiKey: QSCSSVFWHVXYQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 2,3-bis(n-propylthiomethyl)quinoxaline 以 氯仿 、 乙腈 为溶剂， 以40%的产率得到[Cu2(2,3-bis(n-propylthiomethyl)quinoxaline)I2]
  参考文献：
  名称：

  Tuning the formation of copper(I) coordination architectures with quinoxaline-based N,S-donor ligands by varying terminal groups of ligands and reaction temperature

  摘要：

  Five new complexes [Cu-2(L-1)I-2](infinity) (1), [Cu(L-2)I](2) (2), {[Cu-2(L-2)I-2](CH3CN)(3)}(infinity) (3), [Cu-2(L-3)I-2](infinity) (4) and {[Cu(L-3)I](CH3CN)}(2) (5) have been obtained by reacting three structurally related ligands, 2,3-bis(n-propylthiomethyl) quinoxaline (L-1), 2,3-bis(tert-butylthiomethyl)quinoxaline (L-2)and 2,3-bis[(o- aminophenyl) thiomethyl]quinoxaline (L-3)with CuI, respectively, at different temperatures. Single crystal X-ray analyses show that 1, 3, 4 possess 1D chain structures, while 2 and 5 are discrete dinuclear molecules. It is interesting that the reactions of CuI with L-1 at room temperature and 0 degrees C, respectively, only afforded same structure of 1 (1a and 1b), while using L-2 (or L-3)instead, two different frameworks 2 and 3 (or 4 and 5)have been obtained. The structural changes mainly resulted from the different conformations that L-2 or L-3 adopted at different temperatures. Our research indicates that terminal groups of ligands take an essential role in the framework formation, and the reaction temperature also has important effect on the construction of such Cu(I)coordination architectures. Furthermore, the influence of hydrogen bonds on the conformation of ligands and the supramolecular structures of these complexes have also been explored. The luminescence properties of complexes 1, 2, and 4 have been studied in solid state at room temperature. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.05.021