ethyl 4-oxo-2-phenyl-6-(triphenylphosphoranylideneamino)-4H-thieno<2,3-d><3,1>-oxazin-5-carboxylate | 147235-55-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 4-oxo-2-phenyl-6-(triphenylphosphoranylideneamino)-4H-thieno<2,3-d><3,1>-oxazin-5-carboxylate
• CAS: 147235-55-0
• 化学式: C₃₃H₂₅N₂O₄PS
• 分子量: 576.612
• InChiKey: SRVLYIAKXTXNJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  41.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  81.76
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 异氰酸苯酯 、 ethyl 4-oxo-2-phenyl-6-(triphenylphosphoranylideneamino)-4H-thieno<2,3-d><3,1>-oxazin-5-carboxylate 生成 3,4-dihydro-2-methoxy-3,7-diphenyl-5H-1,3-oxazino<5',4':4,5>-thieno<2,3-d>pyrimidin-4,5-dione
  参考文献：
  名称：

  A new, general approach for the synthesis of heteroannulated 3,1-oxazin-4-ones

  摘要：

  Beta-(N-Triphenylphosphoranyliden)-enamino esters afford the synthetically useful heteroannulated 3,1-oxazin-4-ones with aroyl chlorides in different solvents. The reaction proceeds in one step and in high yields and appears to be independent of the reactivity of the heterocyclic substrate.

  DOI：

  10.1016/s0040-4020(01)86261-x
• 作为产物：
  描述：

  diethyl 5-(1-chloro-1-phenylmethyleneamino)-2-(triphenylphosphoranylideneamino)thiophen-3,4-dicarboxylate 生成 ethyl 4-oxo-2-phenyl-6-(triphenylphosphoranylideneamino)-4H-thieno<2,3-d><3,1>-oxazin-5-carboxylate
  参考文献：
  名称：

  A new, general approach for the synthesis of heteroannulated 3,1-oxazin-4-ones

  摘要：

  Beta-(N-Triphenylphosphoranyliden)-enamino esters afford the synthetically useful heteroannulated 3,1-oxazin-4-ones with aroyl chlorides in different solvents. The reaction proceeds in one step and in high yields and appears to be independent of the reactivity of the heterocyclic substrate.

  DOI：

  10.1016/s0040-4020(01)86261-x