1-[9-((Ξ)-3-dimethylamino-propylidene)-thioxanthen-2-yl]-ethanone | 6702-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 1-[9-((Ξ)-3-dimethylamino-propylidene)-thioxanthen-2-yl]-ethanone
• 英文别名: 1-[9-((Ξ)-3-Dimethylamino-propyliden)-thioxanthen-2-yl]-aethanon；1-[9-[3-(dimethylamino)propylidene]thioxanthen-2-yl]ethanone
• CAS: 6702-80-3
• 化学式: C₂₀H₂₁NOS
• 分子量: 323.459
• InChiKey: DCAQTZFBQRYLGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.74
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-[9-((Ξ)-3-dimethylamino-propylidene)-thioxanthen-2-yl]-ethanone 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、2.07 MPa 条件下， 反应 24.0h， 生成 1-[9-(3-Dimethylamino-propyl)-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-acetylthioxanthen-9-one 在 硫酸 、 对甲苯磺酸 、 magnesium 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 1-[9-((Ξ)-3-dimethylamino-propylidene)-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

文献信息

• DE1044103
  申请人：——

  公开号：——

  公开（公告）日：——
• Acylthioxanthenes: agents which selectively reduce decerebrate rigidity in the cat
  作者：Michael J. Ashton、Robert F. Chapman、Anthony H. Loveless

  DOI：10.1021/jm00180a014

  日期：1980.6

  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.