1,2,3,4-tetrakis[(2-pyridylsulfanyl)methyl]benzene | 588691-62-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,2,3,4-tetrakis[(2-pyridylsulfanyl)methyl]benzene
• 英文别名: 2-[[2,3,4-Tris(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine；2-[[2,3,4-tris(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
• CAS: 588691-62-7
• 化学式: C₃₀H₂₆N₄S₄
• 分子量: 570.827
• InChiKey: NVAORZKMNPBFNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate trihydrate 、 1,2,3,4-tetrakis[(2-pyridylsulfanyl)methyl]benzene 以 乙腈 为溶剂， 以91%的产率得到[Cu(II)2(1,2,3,4-tetrakis(pyridylsulfanyl)benzene)(NO3)4]
  参考文献：
  名称：

  Copper(II) complexes of bis- and tetrakis-(2-pyridylsulfanylmethyl)benzenes

  摘要：

  Reactions of copper(II) salts with the ligand 1,2-bis(2-pyridylsulfanylmethyl)benzene (L-1) and the isomeric ligands 1,2,3,4-tetrakis(2-pyridylsulfanylmethyl)benzene (L-2) and 1,2,4,5-tetrakis(2-pyridylsulfanylmethyl)benzene (L-3) give copper(II) complexes, some of which have been characterised by X-ray crystallography. [Cu(L-1)Cl-2] is found to be a one-dimensional coordination polymer, containing two subtly different copper atom environments. By contrast, [Cu-2(L-2)Cl-4] and [Cu-2(L-3)(NO3)(4)] are discrete species with, in each case, the copper atoms chelated by adjacent ligand arms. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.01.001
• 作为产物：
  描述：

  2-巯基吡啶 、 1,2,3,4-四(溴甲基)苯 在 三乙胺 作用下， 以 乙腈 为溶剂， 以50%的产率得到1,2,3,4-tetrakis[(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