2-Chloro-8,11,14,17,20,23,26-heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1,3,5,7(33),27(31),28,30(32)-heptaene | 156644-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-Chloro-8,11,14,17,20,23,26-heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1,3,5,7(33),27(31),28,30(32)-heptaene
• CAS: 156644-36-9
• 化学式: C₂₅H₃₀ClNO₇
• 分子量: 491.969
• InChiKey: IUTQSDQZBNEQID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-Chloro-8,11,14,17,20,23,26-heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1,3,5,7(33),27(31),28,30(32)-heptaene 在 盐酸 作用下， 反应 65.0h， 以24%的产率得到2,7-(epoxyethanoxyethanoxyethanoxyethanoxyethanoxyethanoxy)acridin-9(10H)one
  参考文献：
  名称：

  Crown Ethers Derived from 2,7-Dihydroxyacridine and 2,7-Dihydroxyacridan-9-one

  摘要：

  We report the synthesis of nine acridine crown ethers 11a, 11b, 12a, 12b, 13a, 13b, 14b, 15b, and 16b having one or two acridine rings linked by poly(ethylene glycol) chains. Their H-1 and C-13 NMR spectra have been analyzed and the chemical shifts related to conformational aspects of the chain and to the tautomerism of the acridan-9-one ring. The transport rates have been determined for compounds 11b and 12b against a large variety of ions. While compound 11b is devoid of complexing properties, compound 12b transports Fe2+, Cu+, and Ag+ but not alkali-metal cations.

  DOI：

  10.1021/jo00097a016
• 作为产物：
  描述：

  9-氯-2,7-二甲氧基吖啶 在 氢溴酸 、 cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 2-Chloro-8,11,14,17,20,23,26-heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1,3,5,7(33),27(31),28,30(32)-heptaene
  参考文献：
  名称：

  Crown Ethers Derived from 2,7-Dihydroxyacridine and 2,7-Dihydroxyacridan-9-one

  摘要：

  We report the synthesis of nine acridine crown ethers 11a, 11b, 12a, 12b, 13a, 13b, 14b, 15b, and 16b having one or two acridine rings linked by poly(ethylene glycol) chains. Their H-1 and C-13 NMR spectra have been analyzed and the chemical shifts related to conformational aspects of the chain and to the tautomerism of the acridan-9-one ring. The transport rates have been determined for compounds 11b and 12b against a large variety of ions. While compound 11b is devoid of complexing properties, compound 12b transports Fe2+, Cu+, and Ag+ but not alkali-metal cations.

  DOI：

  10.1021/jo00097a016