2-(4-bromo-3-methylphenylene)-4,6-bis(4-cyano-3-methylphenylene)-1,3,5-triazine | 1149364-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-bromo-3-methylphenylene)-4,6-bis(4-cyano-3-methylphenylene)-1,3,5-triazine
• CAS: 1149364-41-9
• 化学式: C₂₆H₁₈BrN₅
• 分子量: 480.366
• InChiKey: PAJQVITVSDQARO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  86.25
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,4,6-tris(4-bromo-3-methylphenylene)-1,3,5-triazine 、 氰化锌 在 tris-(dibenzylideneacetone)dipalladium(0) 、 1,1'-bis(diphenylphosphino)ferrocene 作用下， 以 2,4-滴二甲胺盐 为溶剂， 反应 20.0h， 以30%的产率得到2,4-bis(4-bromo-3-methylphenylene)-6-(4-cyano-3-methylphenylene)-1,3,5-triazine
  参考文献：
  名称：

  Synthesis of a halo-methylphenylene periphery-functionalized triazine-based dendritic molecule with a 3,3′-dimethyl-biphenyl linker using tris(halo-methylphenylene)triazines as building blocks

  摘要：

  A tris(bromo-methylphenylene)triazine and its corresponding phosphine oxide derivative have been synthesized; the latter compound was found to be a potent ligand for the hydroformylation reaction. Suzuki coupling of the mono-pinacolboronate derivative of the former compound with a tris(iodo-methylphenylene)triazine was possible at two of the three iodine atoms, yielding a bromo- and iodo-methylphenylene periphery-functionalized triazine-based dendritic molecule with a 3,3 '-dimethyl-bipheny) linker. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.011