42,48,54,59-tetratert-butyl-63,64-dihydroxy-3,7,34,38-tetraoxa-13,14,17,24,27,28-hexazanonacyclo[38.15.7.28,11.230,33.146,50.157,61.02,52.018,23.039,44]octahexaconta-1,8,10,12,18,20,22,28,30(66),31,33(65),39,41,43,46(64),47,49,52,54,57,59,61(63),67-tricosaene-15,16,25,26-tetrone | 1431972-14-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 42,48,54,59-tetratert-butyl-63,64-dihydroxy-3,7,34,38-tetraoxa-13,14,17,24,27,28-hexazanonacyclo[38.15.7.28,11.230,33.146,50.157,61.02,52.018,23.039,44]octahexaconta-1,8,10,12,18,20,22,28,30(66),31,33(65),39,41,43,46(64),47,49,52,54,57,59,61(63),67-tricosaene-15,16,25,26-tetrone
• CAS: 1431972-14-3
• 化学式: C₇₄H₈₄N₆O₁₀
• 分子量: 1217.52
• InChiKey: HELPTLUKPCJJSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.15
• 重原子数：
  90.0
• 可旋转键数：
  0.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  218.5
• 氢给体数：
  6.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,27-di(2-bromopropyl)-26,28-dihydroxycalix[4]arene 在 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 36.0h， 生成 42,48,54,59-tetratert-butyl-63,64-dihydroxy-3,7,34,38-tetraoxa-13,14,17,24,27,28-hexazanonacyclo[38.15.7.28,11.230,33.146,50.157,61.02,52.018,23.039,44]octahexaconta-1,8,10,12,18,20,22,28,30(66),31,33(65),39,41,43,46(64),47,49,52,54,57,59,61(63),67-tricosaene-15,16,25,26-tetrone
  参考文献：
  名称：

  New calix[4]arene based oxalylamido receptors for recognition of copper(II)

  摘要：

  New calix[4]arene derivatives with oxalylamido loops on their upper and lower rim (7, 8) have been designed and synthesized. It has been determined that molecular receptor 8 is more efficient than 7 for recognition of copper ions in preference to other metal ions through distinct 'naked eye' color change and a significant change in absorption spectra and fluorescence characteristics. The reported work paves the way for development of novel sensor materials for ubiquitous ions like copper at low concentrations. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.034