3,11,18,26-Tetrazaheptacyclo[26.2.2.213,16.13,7.17,11.118,22.122,26]octatriaconta-1(30),13(36),14,16(35),28,31-hexaene-33,34,37,38-tetrone | 143806-79-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 3,11,18,26-Tetrazaheptacyclo[26.2.2.213,16.13,7.17,11.118,22.122,26]octatriaconta-1(30),13(36),14,16(35),28,31-hexaene-33,34,37,38-tetrone
• 英文别名: 3,11,18,26-tetrazaheptacyclo[26.2.2.213,16.13,7.17,11.118,22.122,26]octatriaconta-1(30),13(36),14,16(35),28,31-hexaene-33,34,37,38-tetrone
• CAS: 143806-79-5
• 化学式: C₃₄H₄₀N₄O₄
• 分子量: 568.716
• InChiKey: UQNRYBWBSKCROP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,8-二氮杂螺[5.5]十一烷-1,7-二酮 在 sodium hydride 作用下， 生成 3,11,18,26-Tetrazaheptacyclo[26.2.2.213,16.13,7.17,11.118,22.122,26]octatriaconta-1(30),13(36),14,16(35),28,31-hexaene-33,34,37,38-tetrone
  参考文献：
  名称：

  Dispiromacrocycles: A class of diamide and diimide ionophores

  摘要：

  A series of novel ionophores was synthesized in three steps from acrylonitrile and diethyl malonate or malononitrile via 2,8-diazaspiro[5,5]undecane-1,7-dione (7) or 2,8-diazaspiro[5,5]undecane-1,3,7,9-tetrone (8). Spirodiamide macrocycle 14 imparts selectivity for lithium to potentiometric ion-selective electrodes.

  DOI：

  10.1016/s0040-4039(00)77468-5

文献信息

• Dispiromacrocycles: A class of diamide and diimide ionophores
  作者：Thomas W. Bell、Heung-Jin Choi、Gary Hiel

  DOI：10.1016/s0040-4039(00)77468-5

  日期：1993.2

  A series of novel ionophores was synthesized in three steps from acrylonitrile and diethyl malonate or malononitrile via 2,8-diazaspiro[5,5]undecane-1,7-dione (7) or 2,8-diazaspiro[5,5]undecane-1,3,7,9-tetrone (8). Spirodiamide macrocycle 14 imparts selectivity for lithium to potentiometric ion-selective electrodes.