6-(4-bromo-2,6-dimethylphenoxy)pyridazin-3(2H)-one | 1340596-04-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(4-bromo-2,6-dimethylphenoxy)pyridazin-3(2H)-one
• 英文别名: 3-(4-bromo-2,6-dimethylphenoxy)-1H-pyridazin-6-one
• CAS: 1340596-04-4
• 化学式: C₁₂H₁₁BrN₂O₂
• 分子量: 295.136
• InChiKey: BKLIXJVZCFMKPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(4-bromo-2,6-dimethylphenoxy)pyridazin-3(2H)-one 在 copper(II) acetate monohydrate 、 sodium hydride 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 4-(3-(4-bromo-2,6-dimethylphenoxy)-6-oxopyridazin-1(6H)-ylamino)benzonitrile
  参考文献：
  名称：

  Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs)

  摘要：

  In this Letter, we report on diarylpyridinone, diarylpyridazinone and diarylphthalazinone analogs as potential inhibitors of HIV-1 nonnucleoside reverse transcriptase (NNRTIs). The most promising compounds in these series are three diarylpyridazinones 25a, 25I and 25n which demonstrated submicromolar activity against wild-type HIV-1 and moderate activity against the single mutant strain Ba-L V106A. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.060
• 作为产物：
  描述：

  4-溴-2,6-二甲基苯酚 在 sodium hydride 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 6-(4-bromo-2,6-dimethylphenoxy)pyridazin-3(2H)-one
  参考文献：
  名称：

  Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs)

  摘要：

  In this Letter, we report on diarylpyridinone, diarylpyridazinone and diarylphthalazinone analogs as potential inhibitors of HIV-1 nonnucleoside reverse transcriptase (NNRTIs). The most promising compounds in these series are three diarylpyridazinones 25a, 25I and 25n which demonstrated submicromolar activity against wild-type HIV-1 and moderate activity against the single mutant strain Ba-L V106A. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.060