3-(2-Propenyl)-2-thioxo-1,5,6,8-tetrahydro-2H-thiopyrano<4',3':4,5>thieno<2,3-d>pyrimidin-4(3H)-one | 173281-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-(2-Propenyl)-2-thioxo-1,5,6,8-tetrahydro-2H-thiopyrano<4',3':4,5>thieno<2,3-d>pyrimidin-4(3H)-one
• 英文别名: 4-Prop-2-enyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
• CAS: 173281-11-3
• 化学式: C₁₂H₁₂N₂OS₃
• 分子量: 296.438
• InChiKey: QHRUNDQSMRGOSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2-Propenyl)-2-thioxo-1,5,6,8-tetrahydro-2H-thiopyrano<4',3':4,5>thieno<2,3-d>pyrimidin-4(3H)-one 在 盐酸 、 溶剂黄146 作用下， 反应 0.25h， 以70%的产率得到2-Methyl-2,3,6,9-tetrahydro-5H,7H-thiazolo<3,2-a>thiopyrano<4',3':4,5>thieno<2,3-d>pyrimidin-5-one
  参考文献：
  名称：

  Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines

  摘要：

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.

  DOI：

  10.1007/bf00811015
• 作为产物：
  描述：

  2-(((2-Propenyl)-aminothioxomethyl)-amino)-4,7-dihydro-5H-thieno<2,3-c>thiopyran-3-carboxamide 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以88%的产率得到3-(2-Propenyl)-2-thioxo-1,5,6,8-tetrahydro-2H-thiopyrano<4',3':4,5>thieno<2,3-d>pyrimidin-4(3H)-one
  参考文献：
  名称：

  Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines

  摘要：

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.

  DOI：

  10.1007/bf00811015

文献信息

• Synthesis of new fused heterocycles by annelation of thiopyrano[4?,3?:4,5]thieno[2,3-c]pyrimidines
  作者：E. K. Ahmed

  DOI：10.1007/bf00811015

  日期：——

  Appropriately substituted thieno[2,3-c] thiopyrans (2, 3, 5, 6, 10, 11) were converted into 1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-ones (4, 7, 12). These in turn were used as key intermediates for annelations of thiazolo and 1,3-thiazino moieties to yield the tetracyclic target structures 7, 8, 9, and 13, derived from two novel heterocyclic ring systems.