2-[4-(4,4',5,5'-tetramethyl-1,3,2-dioxaborolyl)]-4,6-di(4-bromo-3-methylphenylene)-1,3,5-triazine | 1149364-43-1

• 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-(4,4',5,5'-tetramethyl-1,3,2-dioxaborolyl)]-4,6-di(4-bromo-3-methylphenylene)-1,3,5-triazine
• 英文别名: 2,4-Bis(4-bromo-3-methylphenyl)-6-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine；2,4-bis(4-bromo-3-methylphenyl)-6-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
• CAS: 1149364-43-1
• 化学式: C₃₀H₃₀BBr₂N₃O₂
• 分子量: 635.206
• InChiKey: JZISRAFERSXJLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.62
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[4-(4,4',5,5'-tetramethyl-1,3,2-dioxaborolyl)]-4,6-di(4-bromo-3-methylphenylene)-1,3,5-triazine 、 2,4,6-tris(4-iodo-3-methylphenylene)-1,3,5-triazine 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 邻二甲苯 、 水 为溶剂， 反应 72.0h， 以79%的产率得到2,4-Bis[4-[4-[4,6-bis(4-bromo-3-methylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(4-iodo-3-methylphenyl)-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
• 作为产物：
  描述：

  2,4,6-tris(4-bromo-3-methylphenylene)-1,3,5-triazine 、 频那醇硼烷 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 三乙胺 、 甲苯 为溶剂， 反应 48.0h， 以21%的产率得到2-[4-(4,4',5,5'-tetramethyl-1,3,2-dioxaborolyl)]-4,6-di(4-bromo-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

文献信息

• 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
  作者：Ioannis D. Kostas、Fotini J. Andreadaki、Elaine A. Medlycott、Garry S. Hanan、Eric Monflier

  DOI：10.1016/j.tetlet.2009.02.011

  日期：2009.4

  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.