hexakis[(2-pyridylsulfanyl)methyl]benzene | 53403-86-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: hexakis[(2-pyridylsulfanyl)methyl]benzene
• 英文别名: hexakis-(pyridin-2-ylsulfanylmethyl)-benzene；2-[[2,3,4,5,6-Pentakis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine；2-[[2,3,4,5,6-pentakis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
• CAS: 53403-86-4
• 化学式: C₄₂H₃₆N₆S₆
• 分子量: 817.184
• InChiKey: KQFSEZXIDNESMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  54
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  229
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-巯基吡啶 、 六全溴甲基苯 在 三乙胺 作用下， 以 乙腈 为溶剂， 以81%的产率得到hexakis[(2-pyridylsulfanyl)methyl]benzene
  参考文献：
  名称：

  Syntheses and X-ray crystal structures of poly(pyridylsulfanylmethyl)arenes: new multi-armed molecules

  摘要：

  The synthesis of a series of seven new poly(pyridylsulfanylmethyl)arenes is reported. These are readily prepared from either 2- or 4-mercaptopyridine and a poly(bromomethyl)arene in the presence of triethylamine. Compounds with three, four, six and eight pyridylsulfanylmethyl arms are reported. These have been fully characterised and, in four cases, the relative orientations of the pyridylsulfanylmethyl arms have been ascertained by X-ray structural analysis. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00550-7

文献信息

• Syntheses and X-ray crystal structures of poly(pyridylsulfanylmethyl)arenes: new multi-armed molecules
  作者：David A McMorran、Peter J Steel

  DOI：10.1016/s0040-4020(03)00550-7

  日期：2003.5

  The synthesis of a series of seven new poly(pyridylsulfanylmethyl)arenes is reported. These are readily prepared from either 2- or 4-mercaptopyridine and a poly(bromomethyl)arene in the presence of triethylamine. Compounds with three, four, six and eight pyridylsulfanylmethyl arms are reported. These have been fully characterised and, in four cases, the relative orientations of the pyridylsulfanylmethyl arms have been ascertained by X-ray structural analysis. (C) 2003 Elsevier Science Ltd. All rights reserved.