strychnine; picrate | 16639-66-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 马钱子生物碱
• 英文名称: strychnine; picrate
• 英文别名: Strychnin; Picrat
• CAS: 16639-66-0
• 化学式: C₆H₃N₃O₇*C₂₁H₂₂N₂O₂
• 分子量: 563.524
• InChiKey: LWXPSGWCLCFTHA-ZEYGOCRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  41.0
• 可旋转键数：
  3.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  182.43
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  苦味酸 、 番木鳖碱 以 甲醇 、 氯仿 为溶剂， 反应 0.5h， 生成 strychnine; picrate
  参考文献：
  名称：

  An environmentally friendly method to remove and utilize the highly toxic strychnine in other products based on proton-transfer complexation

  摘要：

  The study of toxic and carcinogenic substances represents one of the most demanding areas in human safety, due to their repercussions for public health. There is great motivation to remove and utilize these substances in other products instead of leaving them contaminate the environment. One potentially toxic compound for humans is strychnine (Sy). In the present study, we attempted to establish a quick, simple, direct and efficient method to remcive and utilize discarded Sy in other products based on proton-transfer complexation. First, Sy was reacted with the acido organic acceptors PA, DNBA and CLA. Then, the resultant salts were direct carbonized into carbon materials. Also, this study provides an insight into the structure and morphology of the obtained products by a range of physicochemical techniques, such as UV-visible, IR, H-1 NMR and C-13 NMR spectroscopies; XRD; SEM; TEM; and elemental and thermal analyses. Interestingly, the complexation of Sy with the PA or DNBA acceptor leads to a porous carbon material, while its comptexation with CLA acceptor forms non-porous carbon product. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2015.08.065