3-(2-Nitroanilino)-4-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[[2-(2-nitroanilino)-3,4-dioxocyclobuten-1-yl]amino]ethoxy]-25-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]oxy]ethylamino]cyclobut-3-ene-1,2-dione | 1421592-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2-Nitroanilino)-4-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[[2-(2-nitroanilino)-3,4-dioxocyclobuten-1-yl]amino]ethoxy]-25-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]oxy]ethylamino]cyclobut-3-ene-1,2-dione
• CAS: 1421592-29-1
• 化学式: C₆₈H₇₄N₆O₁₂
• 分子量: 1167.37
• InChiKey: PWHBSCUBQYLOLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.9
• 重原子数：
  86
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  267
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  3-Ethoxy-4-(2-nitroanilino)cyclobut-3-ene-1,2-dione 、 5,11,17,23-tetra-tert-butyl-25,27-bis(2'-aminoethoxy)-26,28-dihydroxycalix[4]arene 在 zinc trifluoromethanesulfonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以73%的产率得到3-(2-Nitroanilino)-4-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[[2-(2-nitroanilino)-3,4-dioxocyclobuten-1-yl]amino]ethoxy]-25-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]oxy]ethylamino]cyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  Novel calix[4]arene-based receptors with bis-squaramide moieties for colorimetric sensing of anions via two different interaction modes

  摘要：

  Novel calix[4]arene-based anion receptors 1-3 with bis-squaramide moieties were designed and synthesized. Their sensing properties with various anions were investigated by UV-vis, ESI-MS, and H-1 NMR spectra. The experimental results revealed that there were two types of interaction modes where receptor 1 bound biologically important H2PO4-, F-, and AcO- ions selectively over other anions in the hydrogen bonding interaction mode, while receptors 2 and 3 displayed deprotonation behavior with basic anions (F-, AcO-, and H2PO4-) via acid-base interaction mode. Receptors 2 and 3 were proved to be efficient 'naked-eye' sensors for F- and AcO- with marked color changes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.117