3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenylpyridazine | 1403874-10-1

• 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: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenylpyridazine
• 英文别名: 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-6-phenylpyridazine；3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenylpyridazine
• CAS: 1403874-10-1
• 化学式: C₁₈H₁₄N₂O₂
• 分子量: 290.321
• InChiKey: NXPAUJDADOBQDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-benzoyl-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-phenylbut-2-ene-1,4-dione 在 一水合肼 作用下， 以 叔丁醇 为溶剂， 以226.2 mg的产率得到3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenylpyridazine
  参考文献：
  名称：

  Unexpected C–C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones

  摘要：

  An unexpected C-C bond cleavage has been revealed in the absence of metal. This observation has been exploited to develop an efficient approach toward 3,6-iarylpyridazines and 6-arylpyridazin-3-ones from simple and commercially available 1,3-dicarbonyl compounds and methyl ketones.

  DOI：

  10.1021/jo301751e

文献信息

• Unexpected C–C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones
  作者：Qinghe Gao、Yanping Zhu、Mi Lian、Meicai Liu、Jingjing Yuan、Guodong Yin、Anxin Wu

  DOI：10.1021/jo301751e

  日期：2012.11.2

  An unexpected C-C bond cleavage has been revealed in the absence of metal. This observation has been exploited to develop an efficient approach toward 3,6-iarylpyridazines and 6-arylpyridazin-3-ones from simple and commercially available 1,3-dicarbonyl compounds and methyl ketones.