1-[8-(4-mercaptophenylamino)octylamino]anthracene-9,10-dione | 1346560-39-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-[8-(4-mercaptophenylamino)octylamino]anthracene-9,10-dione
• 英文别名: 1-[8-(4-sulfanylanilino)octylamino]anthracene-9,10-dione
• CAS: 1346560-39-1
• 化学式: C₂₈H₃₀N₂O₂S
• 分子量: 458.624
• InChiKey: GWPIIGNNALSRCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,8-二溴辛烷 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 74.0h， 生成 1-[8-(4-mercaptophenylamino)octylamino]anthracene-9,10-dione
  参考文献：
  名称：

  Thiol-functionalized anthraquinones: mass spectrometry and electrochemical studies

  摘要：

  In this work, the synthesis of various thiol-functionalized anthraquinone compounds is presented. The studied compounds were characterized by mass spectrometry and the main fragmentation pathways are discussed. The compounds studied formed stable self-assembled monolayers (SAMs) in the gold surface. The parameters for the reduction processes in the gold surface of the studied new anthraquinones were determined by cyclic voltamperometry tests.

  DOI：

  10.1007/s00706-011-0623-2