{3-[(E)-2-(4-Diphenylamino-phenyl)-vinyl]-5-iodo-benzyl}-phosphonic acid diethyl ester | 900791-13-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: {3-[(E)-2-(4-Diphenylamino-phenyl)-vinyl]-5-iodo-benzyl}-phosphonic acid diethyl ester
• 英文别名: 4-[(E)-2-[3-[[diethoxy(oxido)phosphaniumyl]methyl]-5-iodophenyl]ethenyl]-N,N-diphenylaniline
• CAS: 900791-13-1
• 化学式: C₃₁H₃₁INO₃P
• 分子量: 623.47
• InChiKey: QRPIPQWPXXSKRM-FOCLMDBBSA-N

物化性质

• 沸点：
  690.8±55.0 °C(predicted)
• 密度：
  1.400±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {3-[(E)-2-(4-Diphenylamino-phenyl)-vinyl]-5-iodo-benzyl}-phosphonic acid diethyl ester 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium tert-butylate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N,N-dibutyl-4-[(E)-2-[3-[2-[3-[(E)-2-(4-hexoxyphenyl)ethenyl]-5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethynyl]-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]aniline
  参考文献：
  名称：

  Unsymmetrically substituted four-armed tolanes: new multichromophoric molecules

  摘要：

  The selective synthesis of a four-armed tolane with different fluorescent chromophores that are asymmetrically distributed is described. Its optical absorption and emission properties were examined. This multichromophoric molecule exhibits a charge-transfer pathway that has a pronounced effect on the overall optical properties, together with an energy transfer process. Appropriate basic centers are present, meaning that the energy transfer processes can be stopped by the addition of acid-a process that makes this system a fluorescent pH-sensor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.04.126
• 作为产物：
  描述：

  4-二苯胺基苯甲醛 、 1-iodo-3,5-bis(diethoxyphosphorylmethyl)benzene 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到{3-[(E)-2-(4-Diphenylamino-phenyl)-vinyl]-5-iodo-benzyl}-phosphonic acid diethyl ester
  参考文献：
  名称：

  Unsymmetrically substituted four-armed tolanes: new multichromophoric molecules

  摘要：

  The selective synthesis of a four-armed tolane with different fluorescent chromophores that are asymmetrically distributed is described. Its optical absorption and emission properties were examined. This multichromophoric molecule exhibits a charge-transfer pathway that has a pronounced effect on the overall optical properties, together with an energy transfer process. Appropriate basic centers are present, meaning that the energy transfer processes can be stopped by the addition of acid-a process that makes this system a fluorescent pH-sensor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.04.126