2-(6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole | 187656-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
• CAS: 187656-19-5
• 化学式: C₁₁H₁₁BrN₂O₂
• 分子量: 283.125
• InChiKey: NXUJKJDBQASYIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole 在 palladium 10% on activated carbon 、 氘 作用下， 以 氘代甲醇 为溶剂， 20.0 ℃ 、137.9 kPa 条件下， 以50 %的产率得到2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl-6-d)-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  [EN] DEUTERATED IDAZOXAN AND METHODS OF USE THEREOF
  [FR] IDAZOXAN DEUTÉRÉ ET SES PROCÉDÉS D'UTILISATION

  摘要：

  Deuterated forms of idazoxan according to Formula (I), and their pharmaceutically acceptable salts, pharmaceutical compositions containing these compounds, and methods of treatment or prevention using these compounds or pharmaceutical compositions are described. The compounds are useful for treating or preventing a disease or condition selected from psychosis, schizophrenia, schizoaffective disorder, Parkinson's disease, Lewy body dementia, sleep disorder (including insomnia), agitation, mood disorder (including depression), thromboembolic disorder, autism, and attention deficit hyperactivity disorder.

  公开号：

  WO2023159145A1
• 作为产物：
  描述：

  6-bromo-2,3-dihydro-1,4-benzodioxine-2-carboxamide 在 三聚氯氰 、 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.08h， 生成 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  [EN] DEUTERATED IDAZOXAN AND METHODS OF USE THEREOF
  [FR] IDAZOXAN DEUTÉRÉ ET SES PROCÉDÉS D'UTILISATION

  摘要：

  Deuterated forms of idazoxan according to Formula (I), and their pharmaceutically acceptable salts, pharmaceutical compositions containing these compounds, and methods of treatment or prevention using these compounds or pharmaceutical compositions are described. The compounds are useful for treating or preventing a disease or condition selected from psychosis, schizophrenia, schizoaffective disorder, Parkinson's disease, Lewy body dementia, sleep disorder (including insomnia), agitation, mood disorder (including depression), thromboembolic disorder, autism, and attention deficit hyperactivity disorder.

  公开号：

  WO2023159145A1