| 1443155-53-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• CAS: 1443155-53-0
• 化学式: C₂₆H₂₀Br₂S₃
• 分子量: 588.451
• InChiKey: HPMXGKYFUYHXLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.28
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 4-ethynylpyridine hydrochloride 在 copper(l) iodide 、 四(三苯基膦)钯 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以77%的产率得到4-[2-[3-[3,5-Bis[(4-methylphenyl)sulfanyl]phenyl]sulfanyl-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
  参考文献：
  名称：

  Design and construction of supramolecular polysulfurated metallodendrimers with various shapes and sizes via coordination-driven self-assembly

  摘要：

  A new family of 120 degrees polysulfurated dipyridine donors have been successfully designed and synthesized, from which a series of novel rhomboidal and hexagonal supramolecular polysulfurated metallodendrimers were prepared via coordination-driven self-assembly. The structures of the newly designed polysulfurated metallodendrimers were characterized by multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Moreover, the shape and size of these novel metallodendrimers were investigated with PM6 semi-empirical molecular orbital methods. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.058
• 作为产物：
  描述：

  1,3,5-三溴苯 、 3,5-Bis[(4-methylphenyl)sulfanyl]benzenethiol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.17h， 以67%的产率得到
  参考文献：
  名称：

  Design and construction of supramolecular polysulfurated metallodendrimers with various shapes and sizes via coordination-driven self-assembly

  摘要：

  A new family of 120 degrees polysulfurated dipyridine donors have been successfully designed and synthesized, from which a series of novel rhomboidal and hexagonal supramolecular polysulfurated metallodendrimers were prepared via coordination-driven self-assembly. The structures of the newly designed polysulfurated metallodendrimers were characterized by multinuclear NMR (H-1 and P-31), mass spectrometry (CSI-TOF-MS), and elemental analysis. Moreover, the shape and size of these novel metallodendrimers were investigated with PM6 semi-empirical molecular orbital methods. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.058