5,5,10,10,15,15-hexahexyl-7,12-dibromo-2-nitrotruxene | 959163-57-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 5,5,10,10,15,15-hexahexyl-7,12-dibromo-2-nitrotruxene
• CAS: 959163-57-6
• 化学式: C₆₃H₈₇Br₂NO₂
• 分子量: 1050.2
• InChiKey: CWXJYPGMTBYEEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.74
• 重原子数：
  68.0
• 可旋转键数：
  31.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5,5',10,10',15,15'-hexahexyltruxene-2-boronic acid 、 5,5,10,10,15,15-hexahexyl-7,12-dibromo-2-nitrotruxene 在 四(三苯基膦)钯 氢氧化钾 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Synthesis of Giant Rigid π-Conjugated Dendrimers

  摘要：

  [GRAPHICS]A novel family of giant pi-conjugated dendrimers (G0, G1, and G2) solely constructed by 5,5,10,10,15,15-hexahexyltruxene units has been developed in a convergent manner through a Suzuki cross-coupling reaction. The overall yields to such large rigid conjugated dendrimers are quite satisfying. The structures and purity of these nanosize rigid dendrimers are verified by H-1 and C-13 NMR, MALDI-TOF MS, and elemental analysis.

  DOI：

  10.1021/ol702063e
• 作为产物：
  描述：

  5,5,10,10,15,15-hexahexyl-2-nitrotruxene 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以97%的产率得到5,5,10,10,15,15-hexahexyl-7,12-dibromo-2-nitrotruxene
  参考文献：
  名称：

  Synthesis of Giant Rigid π-Conjugated Dendrimers

  摘要：

  [GRAPHICS]A novel family of giant pi-conjugated dendrimers (G0, G1, and G2) solely constructed by 5,5,10,10,15,15-hexahexyltruxene units has been developed in a convergent manner through a Suzuki cross-coupling reaction. The overall yields to such large rigid conjugated dendrimers are quite satisfying. The structures and purity of these nanosize rigid dendrimers are verified by H-1 and C-13 NMR, MALDI-TOF MS, and elemental analysis.

  DOI：

  10.1021/ol702063e