2-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-3,4-dibutylthiene-5-carbaldehyde | 1022089-96-8

• 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: 2-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-3,4-dibutylthiene-5-carbaldehyde
• CAS: 1022089-96-8
• 化学式: C₂₅H₃₅NO₂S
• 分子量: 413.624
• InChiKey: NRVMPHWAZFMVAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.23
• 重原子数：
  29.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[2-[4-[N-ethyl-N-(2-hydroxyethyl)amino]phenyl]ethenyl]-3,4-dibutylthiene-5-carbaldehyde 、 4-(2,6-dimethyl-pyran-4-ylidene)-3-phenyl-4H-isoxazol-5-one 在 哌啶 作用下， 以 甲苯 为溶剂， 以15%的产率得到4-[2,6-bis[(E)-2-[3,4-dibutyl-5-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethenyl]thiophen-2-yl]ethenyl]pyran-4-ylidene]-3-phenyl-1,2-oxazol-5-one
  参考文献：
  名称：

  Synthesis and nonlinear optical properties of linear and Λ-shaped pyranone-based chromophores

  摘要：

  New, pyranone-based chromophores were synthesized and their (nonlinear) optical properties were measured. The chromophores were prepared by first condensing an electron withdrawing group with pyranone, followed by reaction with an aldehyde-functionalized pi-conjugated bridged donor molecule. This approach enables one to easily incorporate the pyranone moiety and to prepare both linear and A-shaped chromophores. The (nonlinear) optical properties were measured using femtosecond hyper-Rayleigh scattering. These measurements demonstrated the advantages of this approach. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.02.009