5-ethyl-2-(tetrahydro-2H-pyran-2-yl)pyrrolo[1',2':1,6]pyrazino[2,3-d]pyridazine-1,6(2H,5H)-dione | 1353565-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: 5-ethyl-2-(tetrahydro-2H-pyran-2-yl)pyrrolo[1',2':1,6]pyrazino[2,3-d]pyridazine-1,6(2H,5H)-dione
• 英文别名: 8-Ethyl-12-(oxan-2-yl)-2,8,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,13-dione；8-ethyl-12-(oxan-2-yl)-2,8,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,13-dione
• CAS: 1353565-21-5
• 化学式: C₁₆H₁₈N₄O₃
• 分子量: 314.344
• InChiKey: CZOFYNCYBIMFIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  67.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-乙基-1H-吡咯-2-羧酰胺 、 4,5-二氯-2-(四氢-吡喃-2-基)-2H-吡嗪-3-酮 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 13.0h， 以48%的产率得到5-ethyl-2-(tetrahydro-2H-pyran-2-yl)pyrrolo[1',2':1,6]pyrazino[2,3-d]pyridazine-1,6(2H,5H)-dione
  参考文献：
  名称：

  A transition metal-free tandem process to pyrrolopyrazino[2,3-d]pyridazine-diones

  摘要：

  A transition metal-free tandem process for the synthesis of pyrrolopyrazino[2,3-d]pyridazine-diones is described. The process is an efficient construction of this tricyclic system by a one-pot coupling/Smiles rearrangement/cyclization approach. This methodology has potential applications in the synthesis of biologically and medicinally relevant compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.021

文献信息

• A transition metal-free tandem process to pyrrolopyrazino[2,3-d]pyridazine-diones
  作者：Aiping Huang、Zhi Qiao、Xinhai Zhang、Wei Yu、Qingqing Zheng、Ying Ma、Chen Ma

  DOI：10.1016/j.tet.2011.11.021

  日期：2012.1

  A transition metal-free tandem process for the synthesis of pyrrolopyrazino[2,3-d]pyridazine-diones is described. The process is an efficient construction of this tricyclic system by a one-pot coupling/Smiles rearrangement/cyclization approach. This methodology has potential applications in the synthesis of biologically and medicinally relevant compounds. (C) 2011 Elsevier Ltd. All rights reserved.