(2-(3,5-dichlorophenyl)-1H-imidazol-4-yl)methanol | 188257-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2-(3,5-dichlorophenyl)-1H-imidazol-4-yl)methanol
• 英文别名: [2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methanol
• CAS: 188257-68-3
• 化学式: C₁₀H₈Cl₂N₂O
• 分子量: 243.092
• InChiKey: YXDKULBKNLIKFC-UHFFFAOYSA-N

物化性质

• 沸点：
  506.8±50.0 °C(Predicted)
• 密度：
  1.482±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-(3,5-dichlorophenyl)-1H-imidazol-4-yl)methanol 在 氯化亚砜 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.5h， 生成 5-bromo-2-[4-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
  参考文献：
  名称：

  The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype

  摘要：

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.

  DOI：

  10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w
• 作为产物：
  描述：

  3,5-二氯苯腈 在 盐酸 、 ammonium hydroxide 、 氯化铵 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 3.75h， 生成 (2-(3,5-dichlorophenyl)-1H-imidazol-4-yl)methanol
  参考文献：
  名称：

  The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype

  摘要：

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.

  DOI：

  10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w

文献信息

• NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR THE SYNTHESIS AND USES THEREOF
  申请人：Ahammune Biosciences Private Limited

  公开号：EP3873890A1

  公开（公告）日：2021-09-08
• The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype
  作者：Andrew Thurkauf

  DOI：10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w

  日期：1997.2

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.