1-N,3-N-dibenzyl-1-N,3-N-bis(4,6-dichloro-1,3,5-triazin-2-yl)benzene-1,3-diamine | 919105-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1-N,3-N-dibenzyl-1-N,3-N-bis(4,6-dichloro-1,3,5-triazin-2-yl)benzene-1,3-diamine
• CAS: 919105-98-9
• 化学式: C₂₆H₁₈Cl₄N₈
• 分子量: 584.295
• InChiKey: VPFTZIFTJKSPJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-N,3-N-dibenzyl-1-N,3-N-bis(4,6-dichloro-1,3,5-triazin-2-yl)benzene-1,3-diamine 在 N,N-二异丙基乙胺 作用下， 以 丙酮 为溶剂， 反应 145.0h， 生成 2,8,14,20-Tetrabenzyl-5,17-dichloro-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：

  三聚氯氰 、 N,N'-dibenzyl-m-phenylenediamine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以87%的产率得到1-N,3-N-dibenzyl-1-N,3-N-bis(4,6-dichloro-1,3,5-triazin-2-yl)benzene-1,3-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, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements
  作者：Yin Chen、De-Xian Wang、Zhi-Tang Huang、Mei-Xiang Wang

  DOI：10.1021/jo100571c

  日期：2010.6.4

  Homo[4] heterocalix[2]arene[2]triazines yielded more diverse conformational structures including partial cone, pinched partial cone, 1,2-alternate and twisted 1,2-alternate, depending on the nature of bridging moieties. On the basis of 1H NMR spectra, homo[2] and homo[4] heterocalix[2]arene[2]triazines were fluxional macrocycles in solution, and they underwent rapid conformation interconversion at different

  通过氰基卤化物，芳香族和脂肪族二醇以及二胺，在非常温和的反应条件下，通过一般且收率良好的片段偶联方法合成了许多homo [2]和homo [4]杂杯[2]芳烃[2]三嗪。虽然homo [2] tetraazacalix [2] arene [2] triazine提供了扭曲和捏合的1,2-交替构象异构体，但几乎所有的homo [2] heterocalix [2] arene [2] triazines固态均采用了不同的部分锥构象。同源[4]异杯[2]芳烃[2]三嗪产生的构象结构更加多样，包括部分锥，夹缩的部分锥，1，2-交替和扭曲的1，2-交替，具体取决于桥联部分的性质。在1的基础上1 H NMR谱图表明，均[2]和均[4]异杯[2]芳烃[2]三嗪是溶液中的通量大环，并且它们在不同温度下经历了快速的构象互换。在氯三嗪环上高效而直接的亲核芳族取代反应和钯催化的交叉偶联反应，以及在桥接氮原子
• 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.