(2E,5E)-2-[4-(diethylamino)benzylidene]-5-{[26,28-dihydroxy-25,27-dipropoxycalix[4]aren-5-yl]mehtylene}cyclopentanone | 1321890-12-3

• 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-[4-(diethylamino)benzylidene]-5-{[26,28-dihydroxy-25,27-dipropoxycalix[4]aren-5-yl]mehtylene}cyclopentanone
• 英文别名: (2E,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(26,28-dihydroxy-25,27-dipropoxy-5-pentacyclo[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-dodecaenyl)methylidene]cyclopentan-1-one
• CAS: 1321890-12-3
• 化学式: C₅₁H₅₅NO₅
• 分子量: 762.001
• InChiKey: DTMGOVFXBFACSD-FGGILOIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  57
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  79.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-formyl-25,27-dipropoxy-26,28-dihydroxycalix[4]arene 、 (2E)-2-(4-diethylaminobenzylidene)cyclopentanone 在 二甲基铵-二甲基 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以71%的产率得到(2E,5E)-2-[4-(diethylamino)benzylidene]-5-{[26,28-dihydroxy-25,27-dipropoxycalix[4]aren-5-yl]mehtylene}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.