14,26-Dimethyl-20-(5-prop-2-ynoxypentyl)-2,8-dioxa-14,20,26,31,32,33,34-heptazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaene | 1257662-49-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 14,26-Dimethyl-20-(5-prop-2-ynoxypentyl)-2,8-dioxa-14,20,26,31,32,33,34-heptazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaene
• CAS: 1257662-49-9
• 化学式: C₃₆H₃₅N₇O₃
• 分子量: 613.719
• InChiKey: NFCHNLQWQNWRKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  89
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-azidoethyl ethylmalonate 、 14,26-Dimethyl-20-(5-prop-2-ynoxypentyl)-2,8-dioxa-14,20,26,31,32,33,34-heptazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaene 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以98%的产率得到3-O-[2-[4-[5-(14,26-dimethyl-2,8-dioxa-14,20,26,31,32,33,34-heptazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaen-20-yl)pentoxymethyl]triazol-1-yl]ethyl] 1-O-ethyl propanedioate
  参考文献：
  名称：

  Synthesis of Diverse N,O-Bridged Calix[1]arene[4]pyridine-C₆₀ Dyads and Triads and Formation of Intramolecular Self-Inclusion Complexes

  摘要：

  Starting from both the bridging nitrogen atom-functionalized and the upper rim-functionalized N,O-bridged calix[1]arene[4]pyridine reactants, different types of heteracalixaromatics-C-60 dyads and triads of varied spacers were expediently synthesized using mainly the click reaction as the key step. By means of various spectroscopic methods, the heteracalixaromatics-C-60 dyads and triads obtained have been shown to form intramolecular self-inclusion complexes rather than oligomers or polymers in solution because of a flexible spacer in between the heteracalixaromatic ring and C-60 moiety. The current study, coupled with previous investigations, would provide the guideline for the construction of supramolecular fullerene motifs based on molecular design of the dyads and triads.

  DOI：

  10.1021/jo1019267
• 作为产物：
  描述：

  14,26-Dimethyl-20-pent-4-enyl-2,8-dioxa-14,20,26,31,32,33,34-heptazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaene 在 9-硼双环[3.3.1]壬烷 作用下， 以 四氢呋喃 为溶剂， 反应 23.0h， 生成 14,26-Dimethyl-20-(5-prop-2-ynoxypentyl)-2,8-dioxa-14,20,26,31,32,33,34-heptazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaene
  参考文献：
  名称：

  Synthesis of Diverse N,O-Bridged Calix[1]arene[4]pyridine-C₆₀ Dyads and Triads and Formation of Intramolecular Self-Inclusion Complexes

  摘要：

  Starting from both the bridging nitrogen atom-functionalized and the upper rim-functionalized N,O-bridged calix[1]arene[4]pyridine reactants, different types of heteracalixaromatics-C-60 dyads and triads of varied spacers were expediently synthesized using mainly the click reaction as the key step. By means of various spectroscopic methods, the heteracalixaromatics-C-60 dyads and triads obtained have been shown to form intramolecular self-inclusion complexes rather than oligomers or polymers in solution because of a flexible spacer in between the heteracalixaromatic ring and C-60 moiety. The current study, coupled with previous investigations, would provide the guideline for the construction of supramolecular fullerene motifs based on molecular design of the dyads and triads.

  DOI：

  10.1021/jo1019267

文献信息

• Synthesis of Diverse <i>N</i>,<i>O</i>-Bridged Calix[1]arene[4]pyridine-C₆₀ Dyads and Triads and Formation of Intramolecular Self-Inclusion Complexes
  作者：Jin-Cheng Wu、De-Xian Wang、Zhi-Tang Huang、Mei-Xiang Wang

  DOI：10.1021/jo1019267

  日期：2010.12.17

  Starting from both the bridging nitrogen atom-functionalized and the upper rim-functionalized N,O-bridged calix[1]arene[4]pyridine reactants, different types of heteracalixaromatics-C-60 dyads and triads of varied spacers were expediently synthesized using mainly the click reaction as the key step. By means of various spectroscopic methods, the heteracalixaromatics-C-60 dyads and triads obtained have been shown to form intramolecular self-inclusion complexes rather than oligomers or polymers in solution because of a flexible spacer in between the heteracalixaromatic ring and C-60 moiety. The current study, coupled with previous investigations, would provide the guideline for the construction of supramolecular fullerene motifs based on molecular design of the dyads and triads.