4,6-dimorpholinopyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile | 1220957-88-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,6-dimorpholinopyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile
• 英文别名: 4,6-Dimorpholin-4-ylpyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile；4,6-dimorpholin-4-ylpyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile
• CAS: 1220957-88-9
• 化学式: C₁₄H₁₆N₆O₂S
• 分子量: 332.386
• InChiKey: WXKIFABKADJAKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  吗啉 、 6-ethoxy-4-morpholinopyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile 以 乙醇 为溶剂， 反应 96.0h， 以48%的产率得到4,6-dimorpholinopyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile
  参考文献：
  名称：

  The synthesis of pyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitriles from (4H-1,2,6-thiadiazin-4-ylidene)malononitriles

  摘要：

  [3,5-Bis(dialkylamino)-4H-1,2,6-thiadiazin-4-ylidene]propanedinitriles 6a-c, react with sodium methoxide or ethoxide to give the corresponding 6-alkoxy-4-dialkylamino substituted pyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitriles 7a-f in variable yields. These new compounds are fully characterised and two rational mechanisms are proposed for their formation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.044

文献信息

• The synthesis of pyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitriles from (4H-1,2,6-thiadiazin-4-ylidene)malononitriles
  作者：Andreas S. Kalogirou、Panayiotis A. Koutentis、Maria D. Rikkou

  DOI：10.1016/j.tet.2010.01.044

  日期：2010.3

  [3,5-Bis(dialkylamino)-4H-1,2,6-thiadiazin-4-ylidene]propanedinitriles 6a-c, react with sodium methoxide or ethoxide to give the corresponding 6-alkoxy-4-dialkylamino substituted pyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitriles 7a-f in variable yields. These new compounds are fully characterised and two rational mechanisms are proposed for their formation. (C) 2010 Elsevier Ltd. All rights reserved.