7,21,35,49-Tetrakis[4-[(4-octoxyphenoxy)methyl]phenyl]-57,61,65,69-tetra(undecyl)-2,12,16,26,30,40,44,54-octaoxa-6,8,20,22,34,36,48,50-octaza-7,21,35,49-tetraboraheptadecacyclo[53.15.1.156,70.03,11.05,9.013,68.015,66.017,25.019,23.027,64.029,62.031,39.033,37.041,60.043,58.045,53.047,51]doheptaconta-1(71),3(11),4,9,13,15(66),17(25),18,23,27,29(62),31(39),32,37,41(60),42,45(53),46,51,55,58,63,67,70(72)-tetracosaene | 1233921-42-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7,21,35,49-Tetrakis[4-[(4-octoxyphenoxy)methyl]phenyl]-57,61,65,69-tetra(undecyl)-2,12,16,26,30,40,44,54-octaoxa-6,8,20,22,34,36,48,50-octaza-7,21,35,49-tetraboraheptadecacyclo[53.15.1.156,70.03,11.05,9.013,68.015,66.017,25.019,23.027,64.029,62.031,39.033,37.041,60.043,58.045,53.047,51]doheptaconta-1(71),3(11),4,9,13,15(66),17(25),18,23,27,29(62),31(39),32,37,41(60),42,45(53),46,51,55,58,63,67,70(72)-tetracosaene
• 英文别名: 7,21,35,49-tetrakis[4-[(4-octoxyphenoxy)methyl]phenyl]-57,61,65,69-tetra(undecyl)-2,12,16,26,30,40,44,54-octaoxa-6,8,20,22,34,36,48,50-octaza-7,21,35,49-tetraboraheptadecacyclo[53.15.1.156,70.03,11.05,9.013,68.015,66.017,25.019,23.027,64.029,62.031,39.033,37.041,60.043,58.045,53.047,51]doheptaconta-1(71),3(11),4,9,13,15(66),17(25),18,23,27,29(62),31(39),32,37,41(60),42,45(53),46,51,55,58,63,67,70(72)-tetracosaene
• CAS: 1233921-42-0
• 化学式: C₁₈₀H₂₂₈B₄N₈O₁₆
• 分子量: 2803.08
• InChiKey: WYOUTUHDRKJBAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  50.01
• 重原子数：
  208
• 可旋转键数：
  88
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  244
• 氢给体数：
  8
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  4-(4-dihydroxyborylbenzyloxy)octyloxybenzene 、 (17s,18s,19s,20s)-3⁴,3⁵,7⁴,7⁵,11⁴,11⁵,15⁴,15⁵-octaamino-17,18,19,20-tetraundecyl-2,4,6,8,10,12,14,16-octaoxa-3,7,11,15(1,2),1,5,9,13(1,2,4,5)-octabenzenapentacyclo[11.3.1.1^1,5.1^5,9.1^9,13]icosaphane 以 甲苯 为溶剂， 反应 36.0h， 以474 mg的产率得到7,21,35,49-Tetrakis[4-[(4-octoxyphenoxy)methyl]phenyl]-57,61,65,69-tetra(undecyl)-2,12,16,26,30,40,44,54-octaoxa-6,8,20,22,34,36,48,50-octaza-7,21,35,49-tetraboraheptadecacyclo[53.15.1.156,70.03,11.05,9.013,68.015,66.017,25.019,23.027,64.029,62.031,39.033,37.041,60.043,58.045,53.047,51]doheptaconta-1(71),3(11),4,9,13,15(66),17(25),18,23,27,29(62),31(39),32,37,41(60),42,45(53),46,51,55,58,63,67,70(72)-tetracosaene
  参考文献：
  名称：

  Resorcin[4]arene cavitand with 1,3,2-benzodiazaborolyl walls as a fluorescence receptor for ammonium cations

  摘要：

  新合成了具有 1,3,2-苯并二氮杂环硼烷壁的 Resorcin[4]arene 空穴剂 1。它在 CH2Cl2-DMSO (9 : 1 v/v) 中与烷基三甲基铵盐选择性络合时，荧光光谱出现了较大的蓝移；这种蓝移可以用肉眼检测到。

  DOI：

  10.1039/c0cc00259c

文献信息

• Resorcin[4]arene cavitand with 1,3,2-benzodiazaborolyl walls as a fluorescence receptor for ammonium cations
  作者：Yuji Kubo、Kazusa Tsuruzoe、Sachiko Okuyama、Ryuhei Nishiyabu、Takashi Fujihara

  DOI：10.1039/c0cc00259c

  日期：——

  Resorcin[4]arene cavitand 1 with 1,3,2-benzodiazaborolyl walls was newly synthesized. It showed a large blue shift in the fluorescence spectra upon selective complexation with alkyltrimethylammonium salts in CH2Cl2–DMSO (9 : 1 v/v); this shift was detectable with the naked eye.

  新合成了具有 1,3,2-苯并二氮杂环硼烷壁的 Resorcin[4]arene 空穴剂 1。它在 CH2Cl2-DMSO (9 : 1 v/v) 中与烷基三甲基铵盐选择性络合时，荧光光谱出现了较大的蓝移；这种蓝移可以用肉眼检测到。