1-Bromo-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene | 203631-74-7

• 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-Bromo-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
• CAS: 203631-74-7
• 化学式: C₁₉H₁₅BrS₃
• 分子量: 419.43
• InChiKey: AKSXAPCUMVFKKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  p-thiophenoxy thiophenol 、 1-Bromo-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene 在 吡啶 、 喹啉 、 copper(I) oxide 作用下， 以21%的产率得到1-Methylsulfanyl-4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylbenzene
  参考文献：
  名称：

  Functionalized p-phenylene sulfides Synthesis of new molecular wires

  摘要：

  Molecular wires containing p-phenylene sulfide units were synthesized. They could be used in material sciences and in supramolecular chemistry. Wires having 2 to 6 phenyl rings were functionalized at one end by an SH or Sh-le group, and at the other end, by an OH, OMe or OiPr groups. Formation of Ar-S bonds in the chain was achieved by Pd- or Cu-catalyzed couplings of aromatic thiols with aromatic halides. Conditions for a clean chemoselective deprotection of thiols from thiomethyl groups were developed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10624-4
• 作为产物：
  描述：

  1-methylsulfanyl-4-(4-bromophenylsulfanyl)-benzene 在 吡啶 、 喹啉 、 copper(I) oxide 、 溴 作用下， 以 溶剂黄146 为溶剂， 生成 1-Bromo-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
  参考文献：
  名称：

  Functionalized p-phenylene sulfides Synthesis of new molecular wires

  摘要：

  Molecular wires containing p-phenylene sulfide units were synthesized. They could be used in material sciences and in supramolecular chemistry. Wires having 2 to 6 phenyl rings were functionalized at one end by an SH or Sh-le group, and at the other end, by an OH, OMe or OiPr groups. Formation of Ar-S bonds in the chain was achieved by Pd- or Cu-catalyzed couplings of aromatic thiols with aromatic halides. Conditions for a clean chemoselective deprotection of thiols from thiomethyl groups were developed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(97)10624-4