(2E,5E,2'E,5'E)-2,2'-{[26,28-dihydroxy-25,27-dipropoxycalix[4]arene-5,17-diyl]di[(E)methylidene]}bis[5-(4-methoxybenzylidene)cyclopentanone] | 1339804-29-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2E,5E,2'E,5'E)-2,2'-{[26,28-dihydroxy-25,27-dipropoxycalix[4]arene-5,17-diyl]di[(E)methylidene]}bis[5-(4-methoxybenzylidene)cyclopentanone]
• 英文别名: (2E,5E)-2-[[26,28-dihydroxy-17-[(E)-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxocyclopentylidene]methyl]-25,27-dipropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methylidene]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one
• CAS: 1339804-29-3
• 化学式: C₆₂H₆₀O₈
• 分子量: 933.154
• InChiKey: CNZCHPNXTLKNMQ-BWWHDWHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  70
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (E)-2-(4-甲氧基亚苄基)环戊酮 、 25,27-dipropyloxy-5,17-diformylcalix[4]arene 在 二甲基铵-二甲基 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以90%的产率得到(2E,5E,2'E,5'E)-2,2'-{[26,28-dihydroxy-25,27-dipropoxycalix[4]arene-5,17-diyl]di[(E)methylidene]}bis[5-(4-methoxybenzylidene)cyclopentanone]
  参考文献：
  名称：

  Synthesis of calixarene-based ketocyanine fluorophores

  摘要：

  Cup-shaped calix[4]arenes bearing one or two ketocyanine fluorophore fragments at the wide rim of the macrocycle are synthesized by condensation of formyl calix[4]arenes with arylmethylene(hetarylmethylene)cyclopentanones in the presence of the ionic liquid, dimethylammonium dimethylcarbamate (DIMCARB) and characterized using UV-vis and fluorescence spectroscopy. Strong positive solvatofluorochromism for the calixarene ketocyanines is observed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.094

文献信息

• Synthesis of calixarene-based ketocyanine fluorophores
  作者：Yuriy Matvieiev、Iuliia Karpenko、Andrii Kulinich、Aleksey Ryabitskii、Vasyl Pivovarenko、Svitlana Shishkina、Oleg Shishkin、Vitaly Kalchenko

  DOI：10.1016/j.tetlet.2011.05.094

  日期：2011.7

  Cup-shaped calix[4]arenes bearing one or two ketocyanine fluorophore fragments at the wide rim of the macrocycle are synthesized by condensation of formyl calix[4]arenes with arylmethylene(hetarylmethylene)cyclopentanones in the presence of the ionic liquid, dimethylammonium dimethylcarbamate (DIMCARB) and characterized using UV-vis and fluorescence spectroscopy. Strong positive solvatofluorochromism for the calixarene ketocyanines is observed. (C) 2011 Elsevier Ltd. All rights reserved.