(14Z)-14,15-bis(oxan-2-yloxymethyl)-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaene;2-[2-[[(14Z)-15-[2-(2-hydroxyethoxy)ethoxymethyl]-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaen-14-yl]methoxy]ethoxy]ethanol | 142160-85-8

• 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: (14Z)-14,15-bis(oxan-2-yloxymethyl)-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaene;2-[2-[[(14Z)-15-[2-(2-hydroxyethoxy)ethoxymethyl]-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaen-14-yl]methoxy]ethoxy]ethanol
• CAS: 142160-85-8
• 化学式: C₄₆H₅₆N₂O₁₂*C₄₈H₅₆N₂O₁₀
• 分子量: 1649.94
• InChiKey: FKDLLTHQGZJYBY-JLOONAEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.64
• 重原子数：
  120.0
• 可旋转键数：
  20.0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  276.62
• 氢给体数：
  2.0
• 氢受体数：
  26.0

反应信息

• 作为反应物：
  描述：

  (14Z)-14,15-bis(oxan-2-yloxymethyl)-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaene;2-[2-[[(14Z)-15-[2-(2-hydroxyethoxy)ethoxymethyl]-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaen-14-yl]methoxy]ethoxy]ethanol 、 对甲苯磺酰氯 在 吡啶 作用下， 以64%的产率得到
  参考文献：
  名称：

  Topological stereochemistry. 8. Experimental studies on the hook and ladder approach to molecular knots: synthesis of a topologically chiral cyclized hook and ladder

  摘要：

  DOI：

  10.1021/ja00041a062
• 作为产物：
  描述：

  2,9-bis(4-hydroxyphenyl)-1,10-phenanthroline 、 2-[2-[(Z)-3-[2-(2-hydroxyethoxy)ethoxymethyl]-4-[2-(2-iodoethoxy)ethoxy]-2-[2-(2-iodoethoxy)ethoxymethyl]but-2-enoxy]ethoxy]ethanol 、 (14Z)-14,15-bis(oxan-2-yloxymethyl)-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaene 在 氰离子 、 铜 、 caesium carbonate 作用下， 生成 (14Z)-14,15-bis(oxan-2-yloxymethyl)-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaene;2-[2-[[(14Z)-15-[2-(2-hydroxyethoxy)ethoxymethyl]-6,9,12,17,20,23-hexaoxa-37,40-diazahexacyclo[26.8.4.22,5.224,27.031,39.034,38]tetratetraconta-1(37),2(44),3,5(43),14,24(42),25,27(41),28(40),29,31(39),32,34(38),35-tetradecaen-14-yl]methoxy]ethoxy]ethanol
  参考文献：
  名称：

  Topological stereochemistry. 8. Experimental studies on the hook and ladder approach to molecular knots: synthesis of a topologically chiral cyclized hook and ladder

  摘要：

  DOI：

  10.1021/ja00041a062