| 56664-63-2

• 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
• CAS: 56664-63-2
• 化学式: C₁₂H₁₅BrN₃O₂
• 分子量: 313.174
• InChiKey: MQEYLGNCJDADOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  在 potassium fluoride 、 四(三苯基膦)钯 作用下， 以 苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Pyridine-based nitronyl nitroxides as versatile synthons for the synthesis of elongated ethynyl-bridged radicals

  摘要：

  We report the preparation of multi-component molecules based on pyridine-, bipyridine- and pyrene-substituted nitronyl nitroxide (NIT) radicals. The synthetic protocol is based on a Pd(0) promoted cross-coupling reaction between 6-BrPyNIT and either 6-HC drop CPyNIT, diethynyl substituted bipyridines, or 1-ethynylpyrene derivatives. The magnetic properties and X-ray structures of the pyridine (Py) and pyrene-based bi- and monoradicals are described briefly. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00069-6
• 作为产物：
  描述：

  2,6-二溴吡啶 、 甲醇 、 N,N’-二羟基-2,3-二甲基-2,3-丁二胺 生成
  参考文献：
  名称：

  Pyridine-based nitronyl nitroxides as versatile synthons for the synthesis of elongated ethynyl-bridged radicals

  摘要：

  We report the preparation of multi-component molecules based on pyridine-, bipyridine- and pyrene-substituted nitronyl nitroxide (NIT) radicals. The synthetic protocol is based on a Pd(0) promoted cross-coupling reaction between 6-BrPyNIT and either 6-HC drop CPyNIT, diethynyl substituted bipyridines, or 1-ethynylpyrene derivatives. The magnetic properties and X-ray structures of the pyridine (Py) and pyrene-based bi- and monoradicals are described briefly. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00069-6

文献信息

• Syntheses, structures and magnetic properties of a series of lanthanide complexes with reduced nitronyl nitroxide radical ligands
  作者：Ying Wu、Cheng-Cai Xia、Xin-Yi Wang

  DOI：10.1016/j.ica.2021.120308

  日期：2021.5