3-chloro-2,4,6-tris(methylselenenyl)pyridine | 1617523-66-6

• 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: 3-chloro-2,4,6-tris(methylselenenyl)pyridine
• CAS: 1617523-66-6
• 化学式: C₈H₁₀ClNSe₃
• 分子量: 392.507
• InChiKey: IEOPNQFNIHGRSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.13
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  3-氯吡啶 、 碘甲烷 在 selenium 、 三氟化硼乙醚 、 lithium diisopropyl amide 作用下， 以 乙醚 为溶剂， 以19%的产率得到3-chloro-2,4,6-tris(methylselenenyl)pyridine
  参考文献：
  名称：

  Synthesis and antibacterial activity of pyridylselenium compounds: Self-assembly of bis(3-bromo-2-pyridyl)diselenide via intermolecular secondary and π⋯π stacking interactions

  摘要：

  Various pyridylseleniums and their hydrochloride salts have been synthesized and evaluated for their antibacterial activities. SEM, TEM and enzyme profiling techniques have been used to investigate the mode of action of these compounds as antibiotics. Single crystal X-ray study of bis(3-bromo-2-pyridyl) diselenide (6b) has also been reported. The molecule 6b displays pi center dot center dot center dot pi stacking and pi center dot center dot center dot Br secondary interactions leading to a supramolecular self-assembly. A search on Cambridge Structural Database was undertaken to identify the pi center dot center dot center dot pi stacking interactions in various other bis(2-pyridyl) diselenides. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.05.009