1-bromo-4-phenylisoquinolin-3-amine | 338420-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-bromo-4-phenylisoquinolin-3-amine
• CAS: 338420-83-0
• 化学式: C₁₅H₁₁BrN₂
• 分子量: 299.17
• InChiKey: LARMTFYJMWKZRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-4-phenylisoquinolin-3-amine 在 氢氧化钾 、 sodium tetrahydroborate 、 5%-palladium/activated carbon 作用下， 以 甲醇 为溶剂， 以79%的产率得到4-苯基异喹啉-3-胺
  参考文献：
  名称：

  Aminoisoquinolines as colorimetric Hg2+ sensors: the importance of molecular structure and sacrificial base

  摘要：

  Here it is shown that 3-phenyl-2-amino isoquinoline acts as a simple mercury sensor. It is simple to synthesize. The molecule requires base/buffer to bind in a 1:1 stoichiometry with mercury ion. however. Otherwise, it acts as a sacrificial base, presumably to pick up a proton liberated during binding. This binding is characterized quantitatively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.063
• 作为产物：
  描述：

  2-[氰基(苯基)甲基]苯甲腈 在 氢溴酸 、 溶剂黄146 作用下， 反应 2.0h， 以72%的产率得到1-bromo-4-phenylisoquinolin-3-amine
  参考文献：
  名称：

  Aminoisoquinolines as colorimetric Hg2+ sensors: the importance of molecular structure and sacrificial base

  摘要：

  Here it is shown that 3-phenyl-2-amino isoquinoline acts as a simple mercury sensor. It is simple to synthesize. The molecule requires base/buffer to bind in a 1:1 stoichiometry with mercury ion. however. Otherwise, it acts as a sacrificial base, presumably to pick up a proton liberated during binding. This binding is characterized quantitatively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.063