N,N'-(disulfanediylbis(ethane-2,1-diyl))bis(2-((4-(dimethylamino)phenyl)diazenyl)benzamide) | 139895-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: N,N'-(disulfanediylbis(ethane-2,1-diyl))bis(2-((4-(dimethylamino)phenyl)diazenyl)benzamide)
• CAS: 139895-90-2
• 化学式: C₃₄H₃₈N₈O₂S₂
• 分子量: 654.86
• InChiKey: SDQRIWHHDALKIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.19
• 重原子数：
  46.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  114.12
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  胱胺 、 甲基红 在 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N,N'-(disulfanediylbis(ethane-2,1-diyl))bis(2-((4-(dimethylamino)phenyl)diazenyl)benzamide)
  参考文献：
  名称：

  Determination of pH with surface-enhanced Raman fiber optic probes

  摘要：

  Methyl red, cresol red, and 4-pyridinethiol were examined for their ability to determine the pH at a surface. Methyl red and cresol red were coupled to cystamine. This produced a disulfide derivatized indicator which formed robust monolayers on sliver substrates. The spectroscopic technique used to examine these compounds was surface-enhanced Raman spectroscopy. We determined that all of these compounds possessed surface-enhanced Raman bands which were characteristic of the molecular structure associated with the indicator and its conjugate acid. Methyl red represents a near resonance indicator. It showed a linear log (I 1400/I 1615) vs pH relationship from pH 2 to 4.5. Some interference due to buff er anions was observed. Cresol red was examined as a resonance Raman indicator. Its linear range was pH 2-8 for the ratio of I 1600/I 1390. An inflection In the calibration curve was observed near pH 5. Cresol red was tested on an optical fiber for Its usefulness as a remote pH probe. It functioned very well and was used to follow a flowing, pH gradient produced by adjusting a reservoir pH with acetic acid. 4-Pyridinethiol is a normal Raman indicator. It possessed a linear log (I 1005/I 1100) vs pH relationship between pH 5 and pH 9. The calibration curves, including the inflection in the case of cresol red, are explained with Gouy-Chapman-Stern theory.

  DOI：

  10.1021/ac00032a018