26,28-dihydroxy-17-{(E)-[(3E)-3-(4-methoxybenzylidene)-2-oxocyclopentylidene]methyl}-25,27-dipropoxycalix[4]arene-5-carbaldehyde | 1321890-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 26,28-dihydroxy-17-{(E)-[(3E)-3-(4-methoxybenzylidene)-2-oxocyclopentylidene]methyl}-25,27-dipropoxycalix[4]arene-5-carbaldehyde
• 英文别名: 26,28-dihydroxy-17-[(E)-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxocyclopentylidene]methyl]-25,27-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carbaldehyde
• CAS: 1321890-18-9
• 化学式: C₄₉H₄₈O₇
• 分子量: 748.916
• InChiKey: BNKFWZPNQJJPEE-VQGAUUQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

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85%的产率得到26,28-dihydroxy-17-{(E)-[(3E)-3-(4-methoxybenzylidene)-2-oxocyclopentylidene]methyl}-25,27-dipropoxycalix[4]arene-5-carbaldehyde
  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.