N,N’,N’’,N’’’-tetrakis(3’,4’,5’-trifluorobenzyl)-1,4,7,10-tetraazacyclododecane | 1396237-04-9

• 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: N,N’,N’’,N’’’-tetrakis(3’,4’,5’-trifluorobenzyl)-1,4,7,10-tetraazacyclododecane
• 英文别名: 1,4,7,10-Tetrakis[(3,4,5-trifluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane；1,4,7,10-tetrakis[(3,4,5-trifluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
• CAS: 1396237-04-9
• 化学式: C₃₆H₃₂F₁₂N₄
• 分子量: 748.658
• InChiKey: LTSYQLSSAQOIRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  N,N’,N’’,N’’’-tetrakis(3’,4’,5’-trifluorobenzyl)-1,4,7,10-tetraazacyclododecane 、 silver trifluoromethanesulfonate 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Argentivorous Molecules: Structural Evidence for Ag⁺–π Interactions in Solution

  摘要：

  Tetra-armed cyclens bearing aromatic side arms were prepared by the reductive amination of cyclen with substituted benzaldehydes. When equimolar amounts of Ag+ ions were added to the ligands, the aromatic rings covered the Ag+ ions incorporated in the ligand cavities, as if the aromatic ring "petals" caught the Ag+ ions in the way an insectivorous plant (Venus flytrap) catches insects. The ligands are called "argentivorous molecules". Evidence of intramolecular Ag+-pi interactions in solution and in the solid state is reported.

  DOI：

  10.1021/ol3019538
• 作为产物：
  描述：

  轮环藤宁 、 3,4,5-三氟苯甲醛 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以53%的产率得到N,N’,N’’,N’’’-tetrakis(3’,4’,5’-trifluorobenzyl)-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Argentivorous Molecules: Structural Evidence for Ag⁺–π Interactions in Solution

  摘要：

  Tetra-armed cyclens bearing aromatic side arms were prepared by the reductive amination of cyclen with substituted benzaldehydes. When equimolar amounts of Ag+ ions were added to the ligands, the aromatic rings covered the Ag+ ions incorporated in the ligand cavities, as if the aromatic ring "petals" caught the Ag+ ions in the way an insectivorous plant (Venus flytrap) catches insects. The ligands are called "argentivorous molecules". Evidence of intramolecular Ag+-pi interactions in solution and in the solid state is reported.

  DOI：

  10.1021/ol3019538

文献信息

• Argentivorous Molecules: Structural Evidence for Ag⁺–π Interactions in Solution
  作者：Yoichi Habata、Mari Ikeda、Sachiko Yamada、Hiroki Takahashi、Sumiko Ueno、Takatoshi Suzuki、Shunsuke Kuwahara

  DOI：10.1021/ol3019538

  日期：2012.9.7

  Tetra-armed cyclens bearing aromatic side arms were prepared by the reductive amination of cyclen with substituted benzaldehydes. When equimolar amounts of Ag+ ions were added to the ligands, the aromatic rings covered the Ag+ ions incorporated in the ligand cavities, as if the aromatic ring "petals" caught the Ag+ ions in the way an insectivorous plant (Venus flytrap) catches insects. The ligands are called "argentivorous molecules". Evidence of intramolecular Ag+-pi interactions in solution and in the solid state is reported.