4-Methylsulfanyl-2-phenyl-[1,3]oxazin-6-one | 135714-53-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-Methylsulfanyl-2-phenyl-[1,3]oxazin-6-one
• 英文别名: 4-methylsulfanyl-2-phenyl-1,3-oxazin-6-one
• CAS: 135714-53-3
• 化学式: C₁₁H₉NO₂S
• 分子量: 219.264
• InChiKey: YOZQXGAMVRFGRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  64
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-methylsulfanylmethyl]benzamide 反应 1.0h， 以95%的产率得到4-Methylsulfanyl-2-phenyl-[1,3]oxazin-6-one
  参考文献：
  名称：

  Novel Synthesis of Acylaminomethylene Meldrum's Acids and Their Thermolysis to 4-Methylthio-and 4-Amino-2-aryl-6H-1,3-oxazin-6-ones

  摘要：

  Bismethylthiomethylene Meldrum's acid reacts with amides in the presence of potassium hydroxide to afford methylthioacylaminomethylene Meldrum's acid 5. Aminolysis of 5 gives aminoacylaminomethylene Meldrum's acids 7. Thermolysis of 5 and 7 supplies a novel synthetic method of 4-methylthio- and 4-amino-2-aryl-6H-1,3-oxazin-6-ones.

  DOI：

  10.1080/00397919108021040

文献信息

• HUANG, XIAN;CHEN, BANG-CHI;WU, GUO-YONG;CHEN, HONG-BO, SYNTH. COMMUN., 21,(1991) N0-11, C. 1213-1221
  作者：HUANG, XIAN、CHEN, BANG-CHI、WU, GUO-YONG、CHEN, HONG-BO

  DOI：——

  日期：——
• Novel Synthesis of Acylaminomethylene Meldrum's Acids and Their Thermolysis to 4-Methylthio-and 4-Amino-2-aryl-6H-1,3-oxazin-6-ones
  作者：Xian Huang、Bang-Chi Chen、Guo-Yong Wu、Hong-Bo Chen

  DOI：10.1080/00397919108021040

  日期：1991.5

  Bismethylthiomethylene Meldrum's acid reacts with amides in the presence of potassium hydroxide to afford methylthioacylaminomethylene Meldrum's acid 5. Aminolysis of 5 gives aminoacylaminomethylene Meldrum's acids 7. Thermolysis of 5 and 7 supplies a novel synthetic method of 4-methylthio- and 4-amino-2-aryl-6H-1,3-oxazin-6-ones.