ethyl 5,6-diphenyl-3-(triphenylphosphoranylideneamino)pyridazin-4-carboxylate | 147235-62-9

• 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 5,6-diphenyl-3-(triphenylphosphoranylideneamino)pyridazin-4-carboxylate
• 英文别名: Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate；ethyl 5,6-diphenyl-3-[(triphenyl-λ5-phosphanylidene)amino]pyridazine-4-carboxylate
• CAS: 147235-62-9
• 化学式: C₃₇H₃₀N₃O₂P
• 分子量: 579.638
• InChiKey: NTSPCRVUULMDBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  苯甲酰氯 、 ethyl 5,6-diphenyl-3-(triphenylphosphoranylideneamino)pyridazin-4-carboxylate 在 4-二甲氨基吡啶 作用下， 反应 8.0h， 以85%的产率得到2,5,6-triphenylpyridazino<3,4-d><3,1>oxazin-4-one
  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：

  三苯基膦 、 ethyl 3-chloro-5,6-diphenyl-4-pyridazinecarboxylate 在 sodium azide 作用下， 生成 ethyl 5,6-diphenyl-3-(triphenylphosphoranylideneamino)pyridazin-4-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

文献信息

• A new, general approach for the synthesis of heteroannulated 3,1-oxazin-4-ones
  作者：Heinrich Wamhoff、Stefan Herrmann、Stephan Stölben、Martin Nieger

  DOI：10.1016/s0040-4020(01)86261-x

  日期：1993.1

  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.