3(2H)-Pyridazinone, 4-hydroxy-5-nitro-2-phenyl- | 2854-49-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3(2H)-Pyridazinone, 4-hydroxy-5-nitro-2-phenyl-
• 英文别名: 1-Phenyl-4-nitro-5-hydroxy-pyridazin-6-on；5-nitro-2-phenyl-2,5-dihydro-pyridazine-3,4-dione；4-hydroxy-5-nitro-2-phenyl-3(2H)-pyridazinone
• CAS: 2854-49-1
• 化学式: C₁₀H₇N₃O₄
• 分子量: 233.183
• InChiKey: BTQSDHQTSQSVMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.26
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3(2H)-Pyridazinone, 4-hydroxy-5-nitro-2-phenyl- 在 10percent Pd/C 甲酸铵 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以99%的产率得到5-Amino-4-hydroxy-2-phenyl-3(2H)-pyridazinone
  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：

  1-苯基-4,5-二氯-6-哒酮 在 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以67%的产率得到3(2H)-Pyridazinone, 4-hydroxy-5-nitro-2-phenyl-
  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

文献信息

• An efficient synthesis of novel 1,3-oxazolo[4,5- d ]pyridazinones
  作者：Eugene B. Frolov、Frederick J. Lakner、Alexandre V. Khvat、Alexandre V. Ivachtchenko

  DOI：10.1016/j.tetlet.2004.04.093

  日期：2004.6

  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.