1,3,5-tris[(2-pyridylsulfanyl)methyl]-2,4,6-trimethylbenzene

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,3,5-tris[(2-pyridylsulfanyl)methyl]-2,4,6-trimethylbenzene
• 英文别名: 2-[[2,4,6-Trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
• 化学式: C₂₇H₂₇N₃S₃
• 分子量: 489.729
• InChiKey: MMJRTASMNKHOGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-二硫二吡啶 、 2,4,6-三溴甲基三甲基苯 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.25h， 以94%的产率得到1,3,5-tris[(2-pyridylsulfanyl)methyl]-2,4,6-trimethylbenzene
  参考文献：
  名称：

  An efficient and facile one-pot synthesis of structurally unique 2,4,6-tris(arylchalcogeno)-1,3,5-triazine and 1,3,5-tris(arylchalcogeno)-2,4,6-trimethylbenzene

  摘要：

  An efficient one-pot synthesis of a novel class of 2,4,6-tris(arylchalcogeno)-1,3,5-triazine (sulfur, selenium and tellurium) and 1,3,5-tris(arylchalcogeno)-2,4,6-trimethylbenzene (sulfur and selenium)-containing ligands has been developed based on the reaction of 2,4,6-trichloro-1,3,5-triazine and 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene with the corresponding arylchalcogenide anions generated in aqueous tetrahydrofuran. (C) 2004 Publishd by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2004.06.128

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.