2-(4-hydroxyphenyl)-3-(2-morpholinoethyl)-1,3-thiazinan-4-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(4-hydroxyphenyl)-3-(2-morpholinoethyl)-1,3-thiazinan-4-one
• 英文别名: 2-(4-Hydroxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
• 化学式: C₁₆H₂₂N₂O₃S
• 分子量: 322.428
• InChiKey: UJTZFFWMXFPNDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 3-巯基丙酸 以 甲苯 为溶剂， 反应 16.0h， 生成 2-(4-hydroxyphenyl)-3-(2-morpholinoethyl)-1,3-thiazinan-4-one
  参考文献：
  名称：

  Synthesis of Novel 2-Aryl-3-(2-morpholinoethyl)-1,3-thiazinan-4-ones Via Ultrasound Irradiation

  摘要：

  This study describes the synthesis of fourteen thiazinanones from a multicomponent reaction of 2-morpholinoehtylamine (as primary amine), arenealdehydes (as carbonyl compound) and the mercaptopropionic acid using both conventional (thermal heating) and ultrasound methodologies. Through thermal heating methodology, the thiazinanones were obtained in 49 to 97% yields for 16 hours and through sonochemistry methodology, the reaction time was reduced for 25 minutes with yields 41 to 88%. The full identification and characterization of unpublished heterocycles were achieved by proton (H-1) and carbon 13 (C-13) nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry and infrared. Some of them were also characterized by elemental analysis.

  DOI：

  10.5935/0103-5053.20160009