4-N-(4-bromophenyl)-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine | 609816-59-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-N-(4-bromophenyl)-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
• CAS: 609816-59-3
• 化学式: C₂₀H₁₉BrN₂
• 分子量: 367.288
• InChiKey: YANFEKZEWNWJJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-N-(4-bromophenyl)-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine 在 叔丁基锂 作用下， 生成 Thioacetic acid S-(4-{methyl-[4-(methyl-phenyl-amino)-phenyl]-amino}-phenyl) ester
  参考文献：
  名称：

  Synthesis of thiol substituted oligoanilines for molecular device candidates

  摘要：

  The synthesis of thioacetate derivatized oligoanilines designed for molecular electronic device purposes is described. Reversible oxidation between the non-conductive leuco base and conductive emeraldine salt forms of these compounds may produce switching effects and device behavior. The targeted compounds contain a sulfur moiety as a means to connect the molecules to metallic electrodes. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01626-5
• 作为产物：
  描述：

  N1-(4-Bromophenyl)-N4-phenylbenzene-1,4-diamine 、 碘甲烷 在 甲基锂 作用下， 以95%的产率得到4-N-(4-bromophenyl)-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
  参考文献：
  名称：

  Synthesis of thiol substituted oligoanilines for molecular device candidates

  摘要：

  The synthesis of thioacetate derivatized oligoanilines designed for molecular electronic device purposes is described. Reversible oxidation between the non-conductive leuco base and conductive emeraldine salt forms of these compounds may produce switching effects and device behavior. The targeted compounds contain a sulfur moiety as a means to connect the molecules to metallic electrodes. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01626-5