4-diethylamino-2-n-octadecyloxybenzaldehyde | 157650-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-diethylamino-2-n-octadecyloxybenzaldehyde
• 英文别名: 4-(diethylamino)-2-octadecoxybenzaldehyde
• CAS: 157650-56-1
• 化学式: C₂₉H₅₁NO₂
• 分子量: 445.729
• InChiKey: LZPQVVXGIDBDEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.99
• 重原子数：
  32.0
• 可旋转键数：
  22.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-diethylamino-2-n-octadecyloxybenzaldehyde 、 6-(diethylamino)-1,2,3,4-tetrahydroxanthylium perchlorate 以 乙酸酐 为溶剂， 反应 0.17h， 生成 6-Diethylamino-4-[1-(4-diethylamino-2-octadecyloxy-phenyl)-meth-(E)-ylidene]-1,2,3,4-tetrahydro-xanthenylium; perchlorate
  参考文献：
  名称：

  3,1?-Bridged 2-[2?-(4?-dialkylaminophenyl)ethenyl] pyrylium and 1-Benzopyrylium Dyes - Synthesis and Vis/NIR Absorption/Emission Behaviour

  摘要：

  A series of new 3,1'-bridged 2-[2'-(4 "-dialkylaminophenyl)ethenyl]-4,6-diarylpyrylium perchlorates (3), 2-[2'-(4 "-dialkylaminophenyl)ethenyl]-7-diethylamino-1-benzopyrylium perchlorates 5-8, 2-[4'-(4 "-dialkylaminophenyl)butadien-1',3'-yl]-, and 2-[2'-(7 "-diethylaminocoumar-3 "-yl)ethenyl]-7-diethylamino-1-benzopyrylium perchlorates 10-12 were synthesized and characterized by means of elemental analysis, m.p., Vis/NIR, and H-1 NMR spectra. Semiempirical MO calculations were performed to elucidate the essential features of the chromophores. The size of the bridging ring strongly affects the geometry of the chromophores which, in turn, determines the extent of charge transfer of the longest wavelength electronic transition. Increasing deviation from planarity causes the polymethine-like chromophore to become more polyene-like.

  DOI：

  10.1002/prac.19983400304
• 作为产物：
  描述：

  1-碘十八烷 、 4-(二乙氨基)水杨醛 在 sodium hydroxide 、 四丙基溴化铵 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以35%的产率得到4-diethylamino-2-n-octadecyloxybenzaldehyde
  参考文献：
  名称：

  9-(4-Dialkylaminostyryl)-acridines - a new class of acidochromic dyes

  摘要：

  A series of new acidochromic 9-(4-dialkylaminostyryl)-acridines (1) were synthesized and characterized by means of elemental analysis, m.p., mass and H-1-NMR-spectra. The colour change in the presence of perchloric acid and the pK(a) was investigated. Their photosensitizing ability was tested by oxygen consumption measurements.

  DOI：

  10.1002/prac.19943360608