2-(2-Methyl-[1,3]dioxolan-2-yl)-thioxanthen-9-one | 73498-56-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 2-(2-Methyl-[1,3]dioxolan-2-yl)-thioxanthen-9-one
• 英文别名: 2-(2-Methyl-1,3-dioxolan-2-yl)thioxanthen-9-one
• CAS: 73498-56-3
• 化学式: C₁₇H₁₄O₃S
• 分子量: 298.362
• InChiKey: OJAOJCQCIYSLGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  60.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-Methyl-[1,3]dioxolan-2-yl)-thioxanthen-9-one 在 硫酸 、 对甲苯磺酸 、 magnesium 、 溶剂黄146 作用下， 反应 10.0h， 生成 1-{9-[3-Dimethylamino-2-methyl-prop-(E)-ylidene]-9H-thioxanthen-2-yl}-ethanone
  参考文献：
  名称：

  Acylthioxanthenes: agents which selectively reduce decerebrate rigidity in the cat

  摘要：

  A series of 2-acylthioxanthene-delta 9 (gamma)-propylamines was synthesized, and their effect of reducing the intercollicular decerebrate rigidity in the cat was evaluated. The compound exhibiting the greatest separation between the dosage that reduced rigidity and that which caused sedation was (Z)-2-propionyl-9-[3-(dimethylamino)propylidene]thioxanthene. The separation of Z and E isomers was monitored by 1H NMR spectroscopy, using an europium shift reagent.

  DOI：

  10.1021/jm00180a014
• 作为产物：
  描述：

  2-((4-acetylphenyl)thio)benzoic acid 在 PPA 、 Polyphosphoric acid (PPA) 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 2-(2-Methyl-[1,3]dioxolan-2-yl)-thioxanthen-9-one
  参考文献：
  名称：

  Acylthioxanthenes: agents which selectively reduce decerebrate rigidity in the cat

  摘要：

  A series of 2-acylthioxanthene-delta 9 (gamma)-propylamines was synthesized, and their effect of reducing the intercollicular decerebrate rigidity in the cat was evaluated. The compound exhibiting the greatest separation between the dosage that reduced rigidity and that which caused sedation was (Z)-2-propionyl-9-[3-(dimethylamino)propylidene]thioxanthene. The separation of Z and E isomers was monitored by 1H NMR spectroscopy, using an europium shift reagent.

  DOI：

  10.1021/jm00180a014