2,5-bis(2,5,8,11,15,18,21,24-octaoxapentacosan-13-yloxy)-4-iodobenzaldehyde | 1616337-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,5-bis(2,5,8,11,15,18,21,24-octaoxapentacosan-13-yloxy)-4-iodobenzaldehyde
• CAS: 1616337-76-8
• 化学式: C₄₁H₇₃IO₁₉
• 分子量: 996.924
• InChiKey: PCPUNWITUVAUGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  61.0
• 可旋转键数：
  49.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  183.21
• 氢给体数：
  0.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  2,5-bis(2,5,8,11,15,18,21,24-octaoxapentacosan-13-yloxy)-4-iodobenzaldehyde 、 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 72.17h， 以66%的产率得到13-[2,5-bis{2-[4-iodo-2,5-bis(2,5,8,11,15,18,21,24-octaoxapentacosan-13-yloxy)phenyl]ethenyl}-4-(2,5,8,11,15,18,21,24-octaoxapentacosan-13-yloxy)phenoxy]-2,5,8,11,15,18,21,24-octaoxapentacosane
  参考文献：
  名称：

  Detection of Amines with Extended Distyrylbenzenes by Strip Assays

  摘要：

  We herein describe the synthesis and property evaluation of three novel aldehyde-substituted pentameric phenylenevinylenes carrying branched oligo(ethylene glycol) (swallowtail, Sw) substituents. The targets were synthesized by a combination of Heck coupling and Wittig or Homer reactions of suitable precursor modules. If the pentameric phenylenevinylene carries only two of these Sw substituents, it is no longer water-soluble. When six of the Sw substituents are attached, regardless of their position, the pentameric phenylenevinylenes are well water-soluble. The dialdehydes were investigated with respect to their amine-sensing capabilities both in water as well as in the solid state, sprayed onto thin layer chromatography (TLC) plates (alox, silica gel, reversed phase silica gel). The recognition of amine vapors using the sprayed-on phenylenevinylene dialdehydes is superb and allows the identification of different amines on regular silica TLC plates via color changes, analyzed by a statistical tool, the multivariate analysis of variance (MANOVA) protocol.

  DOI：

  10.1021/jo501129d
• 作为产物：
  描述：

  2,5-二甲氧基苯甲醛 在 碘 、 三溴化硼 、 potassium carbonate 、 silver nitrate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2,5-bis(2,5,8,11,15,18,21,24-octaoxapentacosan-13-yloxy)-4-iodobenzaldehyde
  参考文献：
  名称：

  Detection of Amines with Extended Distyrylbenzenes by Strip Assays

  摘要：

  We herein describe the synthesis and property evaluation of three novel aldehyde-substituted pentameric phenylenevinylenes carrying branched oligo(ethylene glycol) (swallowtail, Sw) substituents. The targets were synthesized by a combination of Heck coupling and Wittig or Homer reactions of suitable precursor modules. If the pentameric phenylenevinylene carries only two of these Sw substituents, it is no longer water-soluble. When six of the Sw substituents are attached, regardless of their position, the pentameric phenylenevinylenes are well water-soluble. The dialdehydes were investigated with respect to their amine-sensing capabilities both in water as well as in the solid state, sprayed onto thin layer chromatography (TLC) plates (alox, silica gel, reversed phase silica gel). The recognition of amine vapors using the sprayed-on phenylenevinylene dialdehydes is superb and allows the identification of different amines on regular silica TLC plates via color changes, analyzed by a statistical tool, the multivariate analysis of variance (MANOVA) protocol.

  DOI：

  10.1021/jo501129d