1-O-ethyl 3-O-[2-[4-[3-[methyl-(14,20,26-trimethyl-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),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-5-carbonyl)amino]propoxymethyl]triazol-1-yl]ethyl] propanedioate | 1257662-61-5

• 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: 1-O-ethyl 3-O-[2-[4-[3-[methyl-(14,20,26-trimethyl-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),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-5-carbonyl)amino]propoxymethyl]triazol-1-yl]ethyl] propanedioate
• CAS: 1257662-61-5
• 化学式: C₄₄H₄₇N₁₁O₈
• 分子量: 857.926
• InChiKey: AOSRZIHYFXIJCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  63
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  193
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  1-O-ethyl 3-O-[2-[4-[3-[methyl-(14,20,26-trimethyl-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),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-5-carbonyl)amino]propoxymethyl]triazol-1-yl]ethyl] propanedioate 、 bis(ethoxycarbonyl)methanofullerene 以 甲苯 为溶剂， 生成
  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：

  N,14,20,26-tetramethyl-N-prop-2-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),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-5-carboxamide 在 copper(l) iodide 、 N,N-二异丙基乙胺 、 9-硼双环[3.3.1]壬烷 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 25.0h， 生成 1-O-ethyl 3-O-[2-[4-[3-[methyl-(14,20,26-trimethyl-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),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-5-carbonyl)amino]propoxymethyl]triazol-1-yl]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

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.