diethyl (2E,2'E)-2,2'-(3,3'-(1E,1'E)-2,2'-(4,4'-(hexylazanediyl)bis(4,1-phenylene))bis(ethene-2,1-diyl)bis(5,5-dimethylcyclohex-2-en-3-yl-1-ylidene))bis(2-cyanoacetate) | 1219686-70-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: diethyl (2E,2'E)-2,2'-(3,3'-(1E,1'E)-2,2'-(4,4'-(hexylazanediyl)bis(4,1-phenylene))bis(ethene-2,1-diyl)bis(5,5-dimethylcyclohex-2-en-3-yl-1-ylidene))bis(2-cyanoacetate)
• CAS: 1219686-70-0
• 化学式: C₄₈H₅₇N₃O₄
• 分子量: 739.998
• InChiKey: GMOGCQZBVQGMJX-GJMRRMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.69
• 重原子数：
  55.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  103.42
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4,4'-(hexylazanediyl)dibenzaldehyde 、 ethyl 2-cyano-2-(3,5,5-trimethyl-2-cyclohexenyliden)acetate 反应 0.25h， 以90.5%的产率得到diethyl (2E,2'E)-2,2'-(3,3'-(1E,1'E)-2,2'-(4,4'-(hexylazanediyl)bis(4,1-phenylene))bis(ethene-2,1-diyl)bis(5,5-dimethylcyclohex-2-en-3-yl-1-ylidene))bis(2-cyanoacetate)
  参考文献：
  名称：

  Synthesis of Diphenylamine-Based Novel Fluorescent Styryl Colorants by Knoevenagel Condensation Using a Conventional Method, Biocatalyst, and Deep Eutectic Solvent

  摘要：

  Novel Y-shaped-acceptor-pi-donor-pi-acceptor-type compounds, synthesized from 4,4'-hexyliminobisbenzaldehyde as electron donors and different active methylene compounds as electron acceptors, were produced by conventional Knoevenagel condensation alone, with a deep eutectic solvent, or with a lipase biocatalyst to compare the yield and recyclability among the three methods. Yield, reaction time, reaction temperature, and recyclability were compared among the three methods. The photophysical properties and thermal stability of the products were also investigated.

  DOI：

  10.1021/ol902976u