(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-(benzo[d]thiazol-2-yl)acetonitrile) | 1219686-68-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (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-(benzo[d]thiazol-2-yl)acetonitrile)
• 英文别名: (2E)-2-(1,3-benzothiazol-2-yl)-2-[3-[(E)-2-[4-[4-[(E)-2-[(3E)-3-[1,3-benzothiazol-2-yl(cyano)methylidene]-5,5-dimethylcyclohexen-1-yl]ethenyl]-N-hexylanilino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]acetonitrile
• CAS: 1219686-68-6
• 化学式: C₅₆H₅₅N₅S₂
• 分子量: 862.218
• InChiKey: HFUOMGLXRTWINP-GHZHCTPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  63
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4,4'-(hexylazanediyl)dibenzaldehyde 、 (2E)-2-(benzo[d]thiazol-2-yl)-2-(3,5,5-trimethylcyclohex-2-enylidene)acetonitrile 反应 0.25h， 以92.2%的产率得到(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-(benzo[d]thiazol-2-yl)acetonitrile)
  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

文献信息

• Synthesis of Diphenylamine-Based Novel Fluorescent Styryl Colorants by Knoevenagel Condensation Using a Conventional Method, Biocatalyst, and Deep Eutectic Solvent
  作者：Yogesh A. Sonawane、Sunanda B. Phadtare、Bhushan N. Borse、Amit R. Jagtap、Ganapati S. Shankarling

  DOI：10.1021/ol902976u

  日期：2010.4.2

  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.