1,3-oxazolo[4,5-d]pyridazine-2(3H),7(6H)-dione | 729610-44-0

• 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: 1,3-oxazolo[4,5-d]pyridazine-2(3H),7(6H)-dione
• 英文别名: 3,6-Dihydro-[1,3]oxazolo[4,5-d]pyridazine-2,7-dione
• CAS: 729610-44-0
• 化学式: C₅H₃N₃O₃
• 分子量: 153.097
• InChiKey: GWAQZFOFKGZSJI-UHFFFAOYSA-N

物化性质

• 密度：
  2.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-oxazolo[4,5-d]pyridazine-2(3H),7(6H)-dione 在 caesium carbonate 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 生成 3,6-dibenzyl-[1,3]oxazolo[4,5-d]pyridazine-2,7-dione
  参考文献：
  名称：

  An efficient synthesis of novel 1,3-oxazolo[4,5- d ]pyridazinones

  摘要：

  A convenient and versatile synthetic approach to substituted 1,3-oxazolo[4,5-d]pyridazinones is developed. The oxazole ring was formed upon reaction of 5-amino-4-hydroxy-3(2H)-pyridazinone with various carboxylic acid derivatives using a microwave-assisted procedure, which favors the reaction time and purity of the resulting products. The developed methodology is Suitable for rapid, parallel, automated synthesis of oxazolopyridazinone libraries. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.093
• 作为产物：
  描述：

  N,N'-羰基二咪唑 、 5-amino-4-hydroxy-3(2H)-pyridazinone 以 1,4-二氧六环 为溶剂， 反应 0.25h， 以42%的产率得到1,3-oxazolo[4,5-d]pyridazine-2(3H),7(6H)-dione
  参考文献：
  名称：

  An efficient synthesis of novel 1,3-oxazolo[4,5- d ]pyridazinones

  摘要：

  A convenient and versatile synthetic approach to substituted 1,3-oxazolo[4,5-d]pyridazinones is developed. The oxazole ring was formed upon reaction of 5-amino-4-hydroxy-3(2H)-pyridazinone with various carboxylic acid derivatives using a microwave-assisted procedure, which favors the reaction time and purity of the resulting products. The developed methodology is Suitable for rapid, parallel, automated synthesis of oxazolopyridazinone libraries. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.093