Tert-butyl 7-methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene-3-carboxylate | 1393660-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Tert-butyl 7-methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene-3-carboxylate
• 英文别名: tert-butyl 7-methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene-3-carboxylate
• CAS: 1393660-53-1
• 化学式: C₃₈H₅₁NO₁₁
• 分子量: 697.823
• InChiKey: JJRCDMZVCYIWAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  50
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Tert-butyl 7-methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene-3-carboxylate 在 三氟乙酸 、 ammonium hexafluorophosphate 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 2.0h， 以93%的产率得到7-Methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;hexafluorophosphate
  参考文献：
  名称：

  Synthesis of [2]Catenanes by Template-Directed Clipping Approach

  摘要：

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.

  DOI：

  10.1021/jo3012804
• 作为产物：
  描述：

  香草醛 在 sodium tetrahydroborate 、 magnesium sulfate 、 caesium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 132.0h， 生成 Tert-butyl 7-methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene-3-carboxylate
  参考文献：
  名称：

  Synthesis of [2]Catenanes by Template-Directed Clipping Approach

  摘要：

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.

  DOI：

  10.1021/jo3012804

文献信息

• Synthesis of [2]Catenanes by Template-Directed Clipping Approach
  作者：Ziyong Li、Wenju Liu、Jishan Wu、Sheng Hua Liu、Jun Yin

  DOI：10.1021/jo3012804

  日期：2012.8.17

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.