7-cycloheptyl-2,4,8-trimethyl-4,7-dihydro-1H-pyrimido[4,5-c]pyrrolo[3,2-e]pyridazine-1,3(2H)-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-cycloheptyl-2,4,8-trimethyl-4,7-dihydro-1H-pyrimido[4,5-c]pyrrolo[3,2-e]pyridazine-1,3(2H)-dione
• 英文别名: 5-Cycloheptyl-4,10,12-trimethyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-11,13-dione
• 化学式: C₁₈H₂₃N₅O₂
• 分子量: 341.413
• InChiKey: BCOYCACMBHRZOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(n-propyl)dimethylketimine 、 3-(Cycloheptylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7-dione 在 bis(pyridine)silver(I) permanganate 作用下， 反应 72.0h， 以83%的产率得到7-cycloheptyl-2,4,8-trimethyl-4,7-dihydro-1H-pyrimido[4,5-c]pyrrolo[3,2-e]pyridazine-1,3(2H)-dione
  参考文献：
  名称：

  6,8-Dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione: new heterocyclizations based on SNH-methodology. Unexpected formation of the first iso-π-electronic analogue of the still unknown dibenzo[a,o]pycene

  摘要：

  N-(2)-Oxide and 3-amino derivatives of 6,8-dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione have been shown to react with primary alkylamines in the presence of an oxidant to produce condensed imidazolines or imidazoles. Both conversions based on S-N(H)-strategy represent a new approach to imidazoline-(imidazole-)ring annulation. Heterocyclic analogues of the still unknown dibenzo[a,o]pycene were obtained as a by-products of the above transformations upon using of cyclohexylamine. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.08.002