1-{N-[3-(benzo[b]thiophen-3-yl)-5-(3,5-dimethylphenyl)pyrazin-2-yl]-N-benzylamino}pyridinium bromide | 1011794-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1-{N-[3-(benzo[b]thiophen-3-yl)-5-(3,5-dimethylphenyl)pyrazin-2-yl]-N-benzylamino}pyridinium bromide
• CAS: 1011794-11-8
• 化学式: Br*C₃₂H₂₇N₄S
• 分子量: 579.563
• InChiKey: GMWBBFBFWKBLOH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  32.9
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-[3-(benzo[b]thiophen-3-yl)-5-(3,5-dimethylphenyl)pyrazin-2-yl]pyridinium aminide 、 溴甲苯 以 丙酮 为溶剂， 生成 1-{N-[3-(benzo[b]thiophen-3-yl)-5-(3,5-dimethylphenyl)pyrazin-2-yl]-N-benzylamino}pyridinium bromide
  参考文献：
  名称：

  Suzuki reaction on pyridinium N-haloheteroarylaminides: regioselective synthesis of 3,5-disubstituted 2-aminopyrazines

  摘要：

  An extensive study of Suzuki-Miyaura cross-coupling processes on N-pyridinium bromoazinyl aminides has been performed. Mono- and disubstitution on 5- and 3,5-bromo derivatives produced the corresponding aryl derivatives. In the disubstituted compounds regioselective substitution at the 3-position occurred, vicinal to the aminide nitrogen, and this was more evident in pyrazine derivatives. The commonly used strategy involving N-alkylation and reduction of the N-N bond gave rise to a series of 2-alkylamino-3,5-disubstituted-pyrazines. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.057