5-(2,6-二甲基-吡喃-4-亚基)-1,3-二乙基-嘧啶-2,4,6-三酮 | 100958-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-(2,6-二甲基-吡喃-4-亚基)-1,3-二乙基-嘧啶-2,4,6-三酮
• 英文名称: 5-(2,6-dimethyl-pyran-4-ylidene)-1,3-diethyl-pyrimidine-2,4,6-trione
• 英文别名: 1,3-Diaethyl-5-<2,6-dimethyl-4H-pyranyliden>-barbitursaeure；5-(2,6-Dimethylpyran-4-ylidene)-1,3-diethyl-1,3-diazinane-2,4,6-trione；5-(2,6-dimethylpyran-4-ylidene)-1,3-diethyl-1,3-diazinane-2,4,6-trione
• CAS: 100958-38-1
• 化学式: C₁₅H₁₈N₂O₄
• 分子量: 290.319
• InChiKey: ONAFWSHUELTUHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

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 、 5-(2,6-二甲基-吡喃-4-亚基)-1,3-二乙基-嘧啶-2,4,6-三酮 在 哌啶 作用下， 以 甲苯 为溶剂， 以25%的产率得到5-[2-[(E)-2-[3,4-dibutyl-5-[(E)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethenyl]thiophen-2-yl]ethenyl]-6-methylpyran-4-ylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
  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
• 作为产物：
  描述：

  2,6-二甲基-4-吡喃酮 、 1,3-二乙基嘧啶-2,4,6(1H,3H,5H)-三酮 在 乙酸酐 作用下， 以64%的产率得到5-(2,6-二甲基-吡喃-4-亚基)-1,3-二乙基-嘧啶-2,4,6-三酮
  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

文献信息

• Synthesis and nonlinear optical properties of linear and Λ-shaped pyranone-based chromophores
  作者：Guy Koeckelberghs、Leen De Groof、Javier Pérez-Moreno、Inge Asselberghs、Koen Clays、Thierry Verbiest、Celest Samyn

  DOI：10.1016/j.tet.2008.02.009

  日期：2008.4

  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.