4-N-benzyl-4-N-[3-(benzylamino)phenyl]-6-chloro-2-N-[3-(N-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxyanilino)phenyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine | 919106-05-1

• 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: 4-N-benzyl-4-N-[3-(benzylamino)phenyl]-6-chloro-2-N-[3-(N-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxyanilino)phenyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
• CAS: 919106-05-1
• 化学式: C₄₆H₃₇Cl₃N₁₀O₂
• 分子量: 868.225
• InChiKey: FXJCFLRFFLZCPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  61
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4-N-benzyl-4-N-[3-(benzylamino)phenyl]-6-chloro-2-N-[3-(N-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxyanilino)phenyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine 在 N,N-二异丙基乙胺 作用下， 以 丙酮 为溶剂， 反应 60.0h， 以70%的产率得到2,20-Dibenzyl-5,17-dichloro-8,14-bis(4-methoxyphenyl)-2,4,6,8,14,16,18,20,26,28-decazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
  参考文献：
  名称：

  Synthesis of Tetraazacalix[2]arene[2]triazines:  Tuning the Cavity by the Substituents on the Bridging Nitrogen Atoms

  摘要：

  A number of tetraazacalix[ 2] arene[ 2] triazines bearing different substituents on the bridging nitrogen atoms were synthesized efficiently using a fragment coupling strategy. The N- arylation of the parent azacalix[ 2] arene[ 2] triazine afforded tetra( arylaza) calix[ 2] arene[ 2] triazine in 91% yield. The introduction of different substituents on the bridging positions led to the regulation of the cavity of the resulting macrocyclic molecules.

  DOI：

  10.1021/ol062441e
• 作为产物：
  描述：

  N,N'-di(4-methoxyphenyl)-1,3-phenylenediamine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 338.5h， 生成 4-N-benzyl-4-N-[3-(benzylamino)phenyl]-6-chloro-2-N-[3-(N-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxyanilino)phenyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis of Tetraazacalix[2]arene[2]triazines:  Tuning the Cavity by the Substituents on the Bridging Nitrogen Atoms

  摘要：

  A number of tetraazacalix[ 2] arene[ 2] triazines bearing different substituents on the bridging nitrogen atoms were synthesized efficiently using a fragment coupling strategy. The N- arylation of the parent azacalix[ 2] arene[ 2] triazine afforded tetra( arylaza) calix[ 2] arene[ 2] triazine in 91% yield. The introduction of different substituents on the bridging positions led to the regulation of the cavity of the resulting macrocyclic molecules.

  DOI：

  10.1021/ol062441e

文献信息

• Synthesis of Tetraazacalix[2]arene[2]triazines:  Tuning the Cavity by the Substituents on the Bridging Nitrogen Atoms
  作者：Qi-Qiang Wang、De-Xian Wang、Hong-Wei Ma、Mei-Xiang Wang

  DOI：10.1021/ol062441e

  日期：2006.12.1

  A number of tetraazacalix[ 2] arene[ 2] triazines bearing different substituents on the bridging nitrogen atoms were synthesized efficiently using a fragment coupling strategy. The N- arylation of the parent azacalix[ 2] arene[ 2] triazine afforded tetra( arylaza) calix[ 2] arene[ 2] triazine in 91% yield. The introduction of different substituents on the bridging positions led to the regulation of the cavity of the resulting macrocyclic molecules.