3-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)phenyl]propen-2-al | 240129-68-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 英文名称: 3-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)phenyl]propen-2-al
• CAS: 240129-68-4
• 化学式: C₁₉H₂₇NO₅
• 分子量: 349.427
• InChiKey: RBBPZEVJFLIMJS-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  57.23
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-ethyl-2-methy-1,3-benzothiazol-3-ium perchlorate 、 3-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)phenyl]propen-2-al 以 吡啶 、 乙醇 为溶剂， 反应 18.0h， 以66%的产率得到13-[4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane;perchlorate
  参考文献：
  名称：

  Crown-containing butadienyl dyes

  摘要：

  Crown-containing butadienyl dyes containing various heterocyclic moieties and azacrown ether fragments were synthesized for the first time. The spatial structures and the absorption and fluorescence spectra of crown-containing butadienyl dyes and their complexes with metal cations were examined. The effects of the nature of the heterocyclic and crown ether fragments on fluorescence and generation of dyes and their complexes with metal cations were revealed based on the spectral data.

  DOI：

  10.1007/bf02496174
• 作为产物：
  描述：

  (E)-3-(甲基苯基氨基)-2-丙烯醛 、 N-苯氮杂-15-冠-5-醚 在 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 以37%的产率得到3-[4-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)phenyl]propen-2-al
  参考文献：
  名称：

  Crown-containing butadienyl dyes

  摘要：

  Crown-containing butadienyl dyes containing various heterocyclic moieties and azacrown ether fragments were synthesized for the first time. The spatial structures and the absorption and fluorescence spectra of crown-containing butadienyl dyes and their complexes with metal cations were examined. The effects of the nature of the heterocyclic and crown ether fragments on fluorescence and generation of dyes and their complexes with metal cations were revealed based on the spectral data.

  DOI：

  10.1007/bf02496174

文献信息

• Crown-containing butadienyl dyes
  作者：S. P. Gromov、S. A. Sergeev、S. I. Druzhinin、M. V. Rusalov、B. M. Uzhinov、L. G. Kuz'mina、A. V. Churakov、J. A. K. Howard、M. V. Alfimov

  DOI：10.1007/bf02496174

  日期：1999.3

  Crown-containing butadienyl dyes containing various heterocyclic moieties and azacrown ether fragments were synthesized for the first time. The spatial structures and the absorption and fluorescence spectra of crown-containing butadienyl dyes and their complexes with metal cations were examined. The effects of the nature of the heterocyclic and crown ether fragments on fluorescence and generation of dyes and their complexes with metal cations were revealed based on the spectral data.