dimethyl 2-phenyl-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: dimethyl 2-phenyl-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate
• 英文别名: dimethyl 2-phenyl-6-pyrimidin-2-ylsulfanyl-4-sulfanylidene-5H-1,3-oxazine-5,6-dicarboxylate
• 化学式: C₁₈H₁₅N₃O₅S₂
• 分子量: 417.466
• InChiKey: GEZZENCOERNCBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  99.97
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  potassium thioacyanate 、 苯甲酰氯 、 丁炔二酸二甲酯 、 2-巯基嘧啶 以 二氯甲烷 为溶剂， 反应 6.17h， 以83%的产率得到dimethyl 2-phenyl-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate
  参考文献：
  名称：

  One-Pot Synthesis of Dialkyl 2-(Alkyl or aryl)-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate Derivativesviaa Four-Component Reaction

  摘要：

  A number of new dialkyl 2-(alkyl or aryl)-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate have been prepared in good yield from the multicomponent reaction between 2-mercaptopyrimidines and acetylenic diesters with acetyl or benzoyl isothiocyanate.

  DOI：

  10.1002/jhet.1615

文献信息

• One-Pot Synthesis of Dialkyl 2-(Alkyl or aryl)-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4<i>H</i>-1,3-oxazine-5,6-dicarboxylate Derivatives<i>via</i>a Four-Component Reaction
  作者：Ghasem Marandi、Lotfali Saghatforoush、Soheila Sanati、Roya Kabiri

  DOI：10.1002/jhet.1615

  日期：2013.11

  A number of new dialkyl 2-(alkyl or aryl)-6-(pyrimidin-2-ylthio)-4-thioxo-5,6-dihydro-4H-1,3-oxazine-5,6-dicarboxylate have been prepared in good yield from the multicomponent reaction between 2-mercaptopyrimidines and acetylenic diesters with acetyl or benzoyl isothiocyanate.