5,11,17,23-tetra-tert-butyl-25,27-bis(p-nitrophenylureidoethoxy)-26,28-dipropoxy-calix[4]arene | 1027029-24-8

• 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-tetra-tert-butyl-25,27-bis(p-nitrophenylureidoethoxy)-26,28-dipropoxy-calix[4]arene
• 英文别名: 1-(4-Nitrophenyl)-3-[2-[[5,11,17,23-tetratert-butyl-27-[2-[(4-nitrophenyl)carbamoylamino]ethoxy]-26,28-dipropoxy-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]ethyl]urea
• CAS: 1027029-24-8；1146219-45-5
• 化学式: C₆₈H₈₆N₆O₁₀
• 分子量: 1147.47
• InChiKey: CVVYDYXIXRBJCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  84
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  211
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,27-bis(2-aminoethoxy)-26,28-dipropoxy-calix[4]arene 、 异氰酸对硝基苯 以 二氯甲烷 为溶剂， 反应 6.0h， 以87%的产率得到5,11,17,23-tetra-tert-butyl-25,27-bis(p-nitrophenylureidoethoxy)-26,28-dipropoxy-calix[4]arene
  参考文献：
  名称：

  A chloride selective sensor based on a calix[4]arene possessing a urea moiety

  摘要：

  New calix[4]arene derivative I of 1,3-alternate conformation with a ureido moiety has been synthesized in high yield and examined for its anion recognition abilities towards anions such as fluoride, chloride, bromide, iodide, nitrate and acetate by H-1 NMR and UV-vis spectroscopy. The results show that receptor has strong binding affinity for chloride ions. A chloride ion selective electrode (ISE) was also formed which showed excellent selectivity over all the other anions tested. The limit of detection is 2.51 x 10(-5) mol dm(-3.) (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.133