5,11,17,23-Tetratert-butyl-26,28-bis[2-[[5-tert-butyl-3-[(dibenzylamino)methyl]-2-hydroxyphenyl]methylideneamino]ethoxy]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-dodecaene-25,27-diol | 1313598-89-8

• 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: 5,11,17,23-Tetratert-butyl-26,28-bis[2-[[5-tert-butyl-3-[(dibenzylamino)methyl]-2-hydroxyphenyl]methylideneamino]ethoxy]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-dodecaene-25,27-diol
• CAS: 1313598-89-8
• 化学式: C₁₀₀H₁₂₀N₄O₆
• 分子量: 1474.08
• InChiKey: UCZBNBHWKYLFGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.4
• 重原子数：
  110
• 可旋转键数：
  28
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3-((dibenzylamino)methyl)-5-tert-butyl-2-hydroxybenzaldehyde 、 5,11,17,23-tetra-tert-butyl-25,27-bis(2'-aminoethoxy)-26,28-dihydroxycalix[4]arene 以 甲醇 为溶剂， 反应 12.0h， 以52%的产率得到5,11,17,23-Tetratert-butyl-26,28-bis[2-[[5-tert-butyl-3-[(dibenzylamino)methyl]-2-hydroxyphenyl]methylideneamino]ethoxy]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-dodecaene-25,27-diol
  参考文献：
  名称：

  Calix[4]arene-Based 1,3-Diconjugate of Salicylyl Imine Having Dibenzyl Amine Moiety (L): Synthesis, Characterization, Receptor Properties toward Fe²⁺, Cu²⁺, and Zn²⁺, Crystal Structures of Its Zn²⁺and Cu²⁺Complexes, and Selective Phosphate Sensing by the [ZnL]

  摘要：

  A calix[4]arene conjugate bearing salicylyl imine having dibenzyl moiety (L) has been synthesized and characterized, and its ability to recognize three most important essential elements of human system, viz., iron, copper, and zinc, has been addressed by colorimetry and fluorescence techniques. L acts as a sensor for Cu2+ and Fe2+ by exhibiting visual color change and for Zn2+ based on fluorescence spectroscopy. L shows a minimum detection limit of 3.96 +/- 0.42 and 4.51 +/- 0.53 ppm and 45 +/- 4 ppb, respectively, toward Fe2+, Cu2+, and Zn2+. The in situ prepared [ZnL] exhibits phosphate sensing among 14 anions studied with a detection limit of 247 +/- 25 ppb. The complexes of Zn2+, Cu2+, and Fe2+ of L have been synthesized and characterized by different techniques. The crystalline nature of the zinc and copper comlexes and the noncrystalline nature of simple Land its iron complex have been demonstrated by powder XRD. The structures of Cu2+ and Zn2+ complexes have been established by single crystal XRD wherein these were found to be 1:1 monomeric and 2:2 dimeric, respectively, using N2O2 as binding core. The geometries exhibited by the Zn2+ and the Cu2+ complexes were found to be distorted tetrahedral and distorted:I square planar, respectively. The iron complex of L exists in 1:1 stoichiometry as evident from the mass spectrometry and elemental analysis.

  DOI：

  10.1021/ic200544a