5-[4-(2,4-Dimethyl-phenoxy)-but-2-ynyloxy]-1,3-dimethyl-1H-pyrimidine-2,4-dione | 198219-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[4-(2,4-Dimethyl-phenoxy)-but-2-ynyloxy]-1,3-dimethyl-1H-pyrimidine-2,4-dione
• 英文别名: 5-[4-(2,4-Dimethylphenoxy)but-2-ynoxy]-1,3-dimethylpyrimidine-2,4-dione
• CAS: 198219-24-8
• 化学式: C₁₈H₂₀N₂O₄
• 分子量: 328.368
• InChiKey: PVMONRGHSFGTNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-[4-(2,4-Dimethyl-phenoxy)-but-2-ynyloxy]-1,3-dimethyl-1H-pyrimidine-2,4-dione 在 N,N-二乙基苯胺 作用下， 反应 2.0h， 以80%的产率得到1,3,6-trimethyl-7-(2,4-dimethylphenoxymethyl)furo<3,2-d>pyrimidine-2,4-dione
  参考文献：
  名称：

  Studies in Pyrimidine-Annelated Heterocycles¹ by Tandem Cyclization:  Regioselective Synthesis of [6,6]Pyranopyran by Intramolecular [1,6] Michael Addition

  摘要：

  DOI：

  10.1021/jo972058a
• 作为产物：
  描述：

  5-羟基-1,3-二甲基嘧啶-2,4-二酮 、 1-(2,4-dimethylphenyl)oxy-4-chloro-but-2-yne 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 以90%的产率得到5-[4-(2,4-Dimethyl-phenoxy)-but-2-ynyloxy]-1,3-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Regioselective Synthesis of 6H-Pyrano[3,2-e]Pyrimidine-2,4-Dione

  摘要：

  7-Aryloxymethyl-1,3-dimethyl-6H-pyrano[3,2-e]pyrimidine-2,4-diones(4a-f) were synthesized in 88-92% yields (isolated) by the regioselectively thermal [3s, 3s] sigmatropic rearrangement of 1,3-dimethyl-5-(1 -aryloxybut-2-ynyloxy)pyrimidine-2,4-diones, (3a-f) in refluxing chlorobenzene (purified) for 2-4 h.

  DOI：

  10.1080/00397919708005924

文献信息

• Regioselective Synthesis of 6H-Pyrano[3,2-e]Pyrimidine-2,4-Dione
  作者：Majumdar、Das

  DOI：10.1080/00397919708005924

  日期：1997.11

  7-Aryloxymethyl-1,3-dimethyl-6H-pyrano[3,2-e]pyrimidine-2,4-diones(4a-f) were synthesized in 88-92% yields (isolated) by the regioselectively thermal [3s, 3s] sigmatropic rearrangement of 1,3-dimethyl-5-(1 -aryloxybut-2-ynyloxy)pyrimidine-2,4-diones, (3a-f) in refluxing chlorobenzene (purified) for 2-4 h.
• Studies in Pyrimidine-Annelated Heterocycles¹ by Tandem Cyclization:  Regioselective Synthesis of [6,6]Pyranopyran by Intramolecular [1,6] Michael Addition
  作者：K. C. Majumdar、U. Das

  DOI：10.1021/jo972058a

  日期：1998.12.1