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 | 1203469-53-7

• 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-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
• 英文别名: 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
• CAS: 1203469-53-7
• 化学式: C₃₃H₃₁N₇O₂
• 分子量: 557.655
• InChiKey: SNTHLNLDUMLONU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  79.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  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 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 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：

  1,3-bis(6-bromopyridin-2-yloxy)benzene 、 N6-methyl-N6-(6-(methylamino)pyridin-2-yl)-N6-(pent-4-enyl)-pyridin-2,6-diamine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 1,3-双(二苯基膦)丙烷 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 以39%的产率得到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
  参考文献：
  名称：

  N，O-桥杯[1]芳烃[4]吡啶的[2 + 3]片段偶联方法及其与C 60的络合

  摘要：

  由Pd 2（dba）3 / dppp催化的2+ 3大环片段之间容易发生凝结物的偶合反应。这些新颖的固态大环化合物采用扭曲的1,3-交替构象，是强大的宿主分子，能够与富勒烯C 60在溶液中形成1：1络合物，结合常数高达49,494 M -1。

  DOI：

  10.1016/j.tetlet.2009.10.047

文献信息

• A [2+3] fragment coupling approach to N,O-bridged calix[1]arene[4]pyridines and their complexation with C60
  作者：Jin-Cheng Wu、De-Xian Wang、Zhi-Tang Huang、Mei-Xiang Wang

  DOI：10.1016/j.tetlet.2009.10.047

  日期：2009.12

  Functionalized N,O-bridged calix[1]arene[4]pyridines, first examples of the odd-numbered heterocalixaromatics containing mixed heteroatom bridges and mixed aromatic units, have been synthesized from the Pd2(dba)3/dppp-catalyzed 2+3 macrocyclic fragment coupling reaction between readily available staring materials. These novel macrocyclic compounds, which adopted distorted 1,3-alternate conformation

  由Pd 2（dba）3 / dppp催化的2+ 3大环片段之间容易发生凝结物的偶合反应。这些新颖的固态大环化合物采用扭曲的1,3-交替构象，是强大的宿主分子，能够与富勒烯C 60在溶液中形成1：1络合物，结合常数高达49,494 M -1。
• 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.