1-Methylsulfanyl-4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene | 203631-81-6

• 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-Methylsulfanyl-4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
• 英文别名: 1-methylsulfanyl-4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
• CAS: 203631-81-6
• 化学式: C₂₅H₂₀S₄
• 分子量: 448.698
• InChiKey: BUJNJSZBXMVBMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Methylsulfanyl-4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene 在 2-甲基-2-丙硫醇钠盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以92%的产率得到4-[4-(4-Phenylsulfanylphenyl)sulfanylphenyl]sulfanylbenzenethiol
  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：

  4-溴茴香硫醚 在 吡啶 、 喹啉 、 copper(I) oxide 、 2-丙烷硫醇钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-Methylsulfanyl-4-[4-(4-phenylsulfanylphenyl)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