1-(4-nitrophenylthio)-4-(4-bromophenylthio)benzene | 865179-25-5

• 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-(4-nitrophenylthio)-4-(4-bromophenylthio)benzene
• 英文别名: 1-[4-(4-Bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
• CAS: 865179-25-5
• 化学式: C₁₈H₁₂BrNO₂S₂
• 分子量: 418.335
• InChiKey: ZQTJTBHRJBXBIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-nitrophenylthio)-4-(4-bromophenylthio)benzene 在 trans-N,N'-dimethyl-1,2-cyclohexyldiamine 、 1,1'-双(二苯基膦)二茂铁 、 copper(l) iodide 、 potassium tert-butylate 、 sodium iodide 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 120.0h， 生成 1-[4-[4-(4-Iodophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-4-nitrobenzene
  参考文献：
  名称：

  A new approach to the synthesis of oligomers. Application to the synthesis of p-phenylene thioether wires

  摘要：

  Oligothioethers 4-RC6H4(SC6H4-4)(n)X (n = 1-3; X = Br, I; R = NO2; X = Br; R = MeO. n = 1 and 2; X = I; R = MeO. n = 4; X = Br; R = NO2) have been prepared through a process involving (i) palladium-catalyzed C-S coupling between 4-RC6H4(SC6H4-4),(n-1) and 4-BrC6H4SH to give 4-RC6H4(SC6H4-4)(n) Br and (ii) copper-catalyzed replacement of Br by I. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.143
• 作为产物：
  描述：

  1-(4-溴苯基)硫烷基-4-硝基苯 在 trans-N,N'-dimethyl-1,2-cyclohexyldiamine 、 1,1'-双(二苯基膦)二茂铁 、 copper(l) iodide 、 potassium tert-butylate 、 sodium iodide 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 72.0h， 生成 1-(4-nitrophenylthio)-4-(4-bromophenylthio)benzene
  参考文献：
  名称：

  A new approach to the synthesis of oligomers. Application to the synthesis of p-phenylene thioether wires

  摘要：

  Oligothioethers 4-RC6H4(SC6H4-4)(n)X (n = 1-3; X = Br, I; R = NO2; X = Br; R = MeO. n = 1 and 2; X = I; R = MeO. n = 4; X = Br; R = NO2) have been prepared through a process involving (i) palladium-catalyzed C-S coupling between 4-RC6H4(SC6H4-4),(n-1) and 4-BrC6H4SH to give 4-RC6H4(SC6H4-4)(n) Br and (ii) copper-catalyzed replacement of Br by I. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.143

文献信息

• A new approach to the synthesis of oligomers. Application to the synthesis of p-phenylene thioether wires
  作者：José Vicente、José A. Abad、Rosa M. López-Nicolás

  DOI：10.1016/j.tetlet.2005.06.143

  日期：2005.8

  Oligothioethers 4-RC6H4(SC6H4-4)(n)X (n = 1-3; X = Br, I; R = NO2; X = Br; R = MeO. n = 1 and 2; X = I; R = MeO. n = 4; X = Br; R = NO2) have been prepared through a process involving (i) palladium-catalyzed C-S coupling between 4-RC6H4(SC6H4-4),(n-1) and 4-BrC6H4SH to give 4-RC6H4(SC6H4-4)(n) Br and (ii) copper-catalyzed replacement of Br by I. (c) 2005 Elsevier Ltd. All rights reserved.