26,28-bis[2-[2-[(1H-benzimidazol-2-ylamino)methyl]phenoxy]ethoxy]-5,11,17,23-tetratert-butylpentacyclo[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 | 1010430-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 26,28-bis[2-[2-[(1H-benzimidazol-2-ylamino)methyl]phenoxy]ethoxy]-5,11,17,23-tetratert-butylpentacyclo[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: 1010430-01-9
• 化学式: C₇₆H₈₆N₆O₆
• 分子量: 1179.56
• InChiKey: YTDFVPFXAKBSGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  88
• 可旋转键数：
  20
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  159
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以89 mg的产率得到26,28-bis[2-[2-[(1H-benzimidazol-2-ylamino)methyl]phenoxy]ethoxy]-5,11,17,23-tetratert-butylpentacyclo[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：

  p-tert-Butylcalix[4]arene-based fluororeceptor for the recognition of dicarboxylates

  摘要：

  p-tert-Butylcalix[4]arene-based dipodal receptor has been synthesized in cone conformation. The binding affinity of this receptor was evaluated with some aliphatic diacetates such as malonate, succinate, glutarate, adipate, pimelate, and suberate in CH3CN. The receptor has the highest binding affinity for pimelate by making a 1:1 complex. This receptor was used to estimate pimelate in the presence of other dicarboxylates. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.040