1-(Naphthalen-2-ylmethyl)-4-[[9,14,19,24,26,28,30,32,34-nonakis[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxy]-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]oxymethyl]triazole | 1407156-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(Naphthalen-2-ylmethyl)-4-[[9,14,19,24,26,28,30,32,34-nonakis[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxy]-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]oxymethyl]triazole
• 英文别名: 1-(naphthalen-2-ylmethyl)-4-[[9,14,19,24,26,28,30,32,34-nonakis[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxy]-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]oxymethyl]triazole
• CAS: 1407156-69-7
• 化学式: C₁₇₅H₁₄₀N₃₀O₁₀
• 分子量: 2823.23
• InChiKey: SDXIWRSNACSDAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.7
• 重原子数：
  215
• 可旋转键数：
  50
• 环数：
  41.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  399
• 氢给体数：
  0
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  、 1-(Naphthalen-2-ylmethyl)-4-[[9,14,19,24,26,28,30,32,34-nonakis[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxy]-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]oxymethyl]triazole 以 氘代氯仿 、 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  Cavity-Extended Pillar [5] 芳烃：百草枯和双吡啶鎓衍生物的合成和主客体络合

  摘要：

  含有富电子萘基的空腔扩展柱[5]芳烃已被证明对含有缺电子吡啶鎓单元的线性客体具有增强的结合亲和力。研究了尺寸效应、电荷密度、协同效应和C-H···π相互作用的重要性，这些因素在这些主客体系统的络合中起着重要作用。

  DOI：

  10.1002/ejoc.201201003
• 作为产物：
  描述：

  12,15,32,35,52,55,72,75,92,95-Decakis(prop-2-yn-1-yloxy)-1,3,5,7,9(1,4)-pentabenzenacyclodecaphane 、 2-(叠氮甲基)萘 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以75%的产率得到1-(Naphthalen-2-ylmethyl)-4-[[9,14,19,24,26,28,30,32,34-nonakis[[1-(naphthalen-2-ylmethyl)triazol-4-yl]methoxy]-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaenyl]oxymethyl]triazole
  参考文献：
  名称：

  A pillar[5]arene-based molecular grapple of hexafluorophosphate

  摘要：

  A symmetric pillararene-based receptor containing ten triazole units was synthesized. Interestingly, it formed 1:1 complexes instead of 1:2 with different halide anions. This was caused by the cooperative multivalent hydrogen-bond interactions between the triazole protons on one side of the receptor and the halide anion, which changed its structure from pillar to conical. However, by the regulation of the effector F-, it can work like an excavator grapple selectively grasps a PF6- anion. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2019.01.018

文献信息

• Cavity-Extended Pillar[5]arenes: Syntheses and Host-Guest Complexation with Paraquat and Bispyridinium Derivatives
  作者：Guocan Yu、Zibin Zhang、Jiuming He、Zeper Abliz、Feihe Huang

  DOI：10.1002/ejoc.201201003

  日期：2012.10

  Cavity-extended pillar[5]arenes containing electron-rich naphthyl groups have been demonstrated to have enhanced binding affinity to linear guests containing electron-deficient pyridinium units. The importance of size effect, charge density, cooperative effect, and C–H···π interactions were investigated, and these factors play significant roles in the complexation of these host–guest systems.

  含有富电子萘基的空腔扩展柱[5]芳烃已被证明对含有缺电子吡啶鎓单元的线性客体具有增强的结合亲和力。研究了尺寸效应、电荷密度、协同效应和C-H···π相互作用的重要性，这些因素在这些主客体系统的络合中起着重要作用。
• A pillar[5]arene-based molecular grapple of hexafluorophosphate
  作者：Zibin Zhang、Kechang Sun、Shijun Li、Guocan Yu

  DOI：10.1016/j.cclet.2019.01.018

  日期：2019.5

  A symmetric pillararene-based receptor containing ten triazole units was synthesized. Interestingly, it formed 1:1 complexes instead of 1:2 with different halide anions. This was caused by the cooperative multivalent hydrogen-bond interactions between the triazole protons on one side of the receptor and the halide anion, which changed its structure from pillar to conical. However, by the regulation of the effector F-, it can work like an excavator grapple selectively grasps a PF6- anion. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.