(3-Oxo-1,3-diphenylpropyl) morpholine-4-carbodithioate | 1374787-74-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (3-Oxo-1,3-diphenylpropyl) morpholine-4-carbodithioate
• CAS: 1374787-74-2
• 化学式: C₂₀H₂₁NO₂S₂
• 分子量: 371.524
• InChiKey: OJVMSXSOQMQEPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯乙酮 在 potassium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.5h， 生成 (3-Oxo-1,3-diphenylpropyl) morpholine-4-carbodithioate
  参考文献：
  名称：

  Design, synthesis, molecular docking and biological evaluation of new dithiocarbamates substituted benzimidazole and chalcones as possible chemotherapeutic agents

  摘要：

  A series of novel dithiocarbamates with benzimidazole and chalcone scaffold have been designed synthesised and evaluated for their antimitotic activity. Compounds 4c and 9d display the most promising antimitotic activity with IC50 of 1.66 mu M and 1.52 mu M respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.018

文献信息

• An efficient four-component synthesis of dithiocarbamate derivatives
  作者：Najmedin Azizi、Meysam Khajeh、Morteza Hasani、Sahar Dezfooli

  DOI：10.1016/j.tetlet.2013.07.124

  日期：2013.9

  An environmentally benign, one-pot, four-component synthesis of chemically and pharmaceutically interesting dithiocarbamate derivatives is reported. The one-pot reaction of various aromatic aldehydes, ketones, aliphatic amines, and carbon disulfide, in the presence of potassium hydroxide in urea-choline chloride deep eutectic solvent or ethanol, leads to the corresponding dithiocarbamates in good to excellent yields. This method provides a convenient and time-saving strategy, with a simple work-up procedure. (c) 2013 Elsevier Ltd. All rights reserved.
• Design, synthesis, molecular docking and biological evaluation of new dithiocarbamates substituted benzimidazole and chalcones as possible chemotherapeutic agents
  作者：Keerthana Bacharaju、Swathi Reddy Jambula、Sreekanth Sivan、Saritha JyostnaTangeda、Vijjulatha Manga

  DOI：10.1016/j.bmcl.2012.03.018

  日期：2012.5

  A series of novel dithiocarbamates with benzimidazole and chalcone scaffold have been designed synthesised and evaluated for their antimitotic activity. Compounds 4c and 9d display the most promising antimitotic activity with IC50 of 1.66 mu M and 1.52 mu M respectively. (C) 2012 Elsevier Ltd. All rights reserved.