ethyl 4-(4'-(4-butylphenyl)-6,6'-diphenyl-[2,2'-bi(1,3,5-triazin)]-4-yl)benzoate | 1256170-41-8

• 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: ethyl 4-(4'-(4-butylphenyl)-6,6'-diphenyl-[2,2'-bi(1,3,5-triazin)]-4-yl)benzoate
• 英文别名: Ethyl 4-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]benzoate；ethyl 4-[4-[4-(4-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]benzoate
• CAS: 1256170-41-8
• 化学式: C₃₇H₃₂N₆O₂
• 分子量: 592.7
• InChiKey: FWTOAJRUUMHXQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-iodo-4-(4-butylphenyl)-6-phenyl-1,3,5-triazine 、 ethyl 4-(4-iodo-6-phenyl-1,3,5-triazin-2-yl)benzoate 在 仲丁基氯化镁 、 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 24.34h， 以52%的产率得到ethyl 4-(4'-(4-butylphenyl)-6,6'-diphenyl-[2,2'-bi(1,3,5-triazin)]-4-yl)benzoate
  参考文献：
  名称：

  Preparation of 2-Magnesiated 1,3,5-Triazines via an Iodine−Magnesium Exchange

  摘要：

  Functionalized iodo- and diiodo-1,3,5-triazine derivatives readily undergo an I/Mg exchange with BuMgCl, sBuMgCl, or OctMgBr at low temperatures. furnishing 2-magnesiated and 2-zincated 1,3,5-triazines (after transmetalation with ZnCl2). This method also offers a convenient access to dimagnesiated triazines. Furthermore, it allows the preparation of functionalized 1,3,5-triazinyl dimers and trimers, interesting for their optoelectronic properties.

  DOI：

  10.1021/ol102173z

文献信息

• Preparation of 2-Magnesiated 1,3,5-Triazines via an Iodine−Magnesium Exchange
  作者：Zhihua Peng、Benjamin A. Haag、Paul Knochel

  DOI：10.1021/ol102173z

  日期：2010.12.3

  Functionalized iodo- and diiodo-1,3,5-triazine derivatives readily undergo an I/Mg exchange with BuMgCl, sBuMgCl, or OctMgBr at low temperatures. furnishing 2-magnesiated and 2-zincated 1,3,5-triazines (after transmetalation with ZnCl2). This method also offers a convenient access to dimagnesiated triazines. Furthermore, it allows the preparation of functionalized 1,3,5-triazinyl dimers and trimers, interesting for their optoelectronic properties.