1-naphthoyl-(1,1,3,3-tetramethylguanidine)

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-naphthoyl-(1,1,3,3-tetramethylguanidine)
• 英文别名: N-[bis(dimethylamino)methylidene]naphthalene-1-carboxamide
• 化学式: C₁₆H₁₉N₃O
• 分子量: 269.346
• InChiKey: CBGCPJRJQNYQRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-萘甲酰氯 、 四甲基胍 以 四氢呋喃 为溶剂， 反应 3.0h， 以91%的产率得到1-naphthoyl-(1,1,3,3-tetramethylguanidine)
  参考文献：
  名称：

  Synthesis of Guanidine Derivatives and Molecular Recognition

  摘要：

  Five Guanidine Derivatives bearing acyl group were synthesized by the reaction of acyl chloride with 1,1,3,3-tetramethylguanidine. Their structures were confirmed by IR, H-1-NMR, EI-MS, HRMS and elementary analysis. One of them (4a) was also characterized by X-ray. Preliminary results of interaction with phosphate-containing biomolecules and adipate showed that all of them exhibited the abilities of molecular recognition.

  DOI：

  10.1081/scc-120017128