N-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethyl]-2-(N-[2-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethylamino]-2-oxoethyl]anilino)acetamide | 1402091-16-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethyl]-2-(N-[2-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethylamino]-2-oxoethyl]anilino)acetamide
• CAS: 1402091-16-0
• 化学式: C₄₀H₃₉N₅O₂
• 分子量: 621.782
• InChiKey: GHWSHUOBLAVLDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  铜 、 N-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethyl]-2-(N-[2-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethylamino]-2-oxoethyl]anilino)acetamide 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  A useful scaffold based on acenaphthene exhibiting Cu2+ induced excimer fluorescence and sensing cyanide via Cu2+ displacement approach

  摘要：

  A new simple organic scaffold based on acenaphthene 4 was designed and synthesized. The chromogenic and fluorogenic properties of 4 toward different metal ions and anions were investigated in H2O/MeCN (8:2, v/v) solution. The probe 4 in the presence of Cu2+ exhibited strong static excimer emission at 507 nm along with a decrease in monomer emission at similar to 400 nm ratiometrically, attributed to a complexation through aldimine and amide groups of 4. Additionally, 4 upon interaction with different anions illustrated significant fluorescence enhancement with cyanide. However, interaction of complex, 4-Cu2+ with CN- revealed fluorescence quenching attributed to formation of stable [Cu(CN)(x)](1-x) species in the medium. A naked-eye sensitive fluorescent green color of solution was changed to blue. The mechanism of interaction between 4 and Cu2+ and sensing of cyanide through Cu2+ displacement approach was confirmed by the change in optical behaviors and H-1 NMR and ESI-MS spectral data analysis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.052
• 作为产物：
  描述：

  在 氰离子 作用下， 以 水 、 乙腈 为溶剂， 生成 N-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethyl]-2-(N-[2-[2-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)ethylamino]-2-oxoethyl]anilino)acetamide
  参考文献：
  名称：

  A useful scaffold based on acenaphthene exhibiting Cu2+ induced excimer fluorescence and sensing cyanide via Cu2+ displacement approach

  摘要：

  A new simple organic scaffold based on acenaphthene 4 was designed and synthesized. The chromogenic and fluorogenic properties of 4 toward different metal ions and anions were investigated in H2O/MeCN (8:2, v/v) solution. The probe 4 in the presence of Cu2+ exhibited strong static excimer emission at 507 nm along with a decrease in monomer emission at similar to 400 nm ratiometrically, attributed to a complexation through aldimine and amide groups of 4. Additionally, 4 upon interaction with different anions illustrated significant fluorescence enhancement with cyanide. However, interaction of complex, 4-Cu2+ with CN- revealed fluorescence quenching attributed to formation of stable [Cu(CN)(x)](1-x) species in the medium. A naked-eye sensitive fluorescent green color of solution was changed to blue. The mechanism of interaction between 4 and Cu2+ and sensing of cyanide through Cu2+ displacement approach was confirmed by the change in optical behaviors and H-1 NMR and ESI-MS spectral data analysis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.052