7,17:8,16-dimetheno-9H,11H,13H,15H-quinoxalino<2'',3'':2',3'><1,4>benzodioxonino<10',9':5,6>quinoxalino<2'',3'':2',3'>quinoxalino<2'''',3'''':2''',3'''><1,4>dioxonino<6''',5''':9',10'><1,4>benzodioxonino<6',5':9,10><1,4>benzodioxonino<2,3-b>quinoxaline | 83136-22-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7,17:8,16-dimetheno-9H,11H,13H,15H-quinoxalino<2'',3'':2',3'><1,4>benzodioxonino<10',9':5,6>quinoxalino<2'',3'':2',3'>quinoxalino<2'''',3'''':2''',3'''><1,4>dioxonino<6''',5''':9',10'><1,4>benzodioxonino<6',5':9,10><1,4>benzodioxonino<2,3-b>quinoxaline
• 英文别名: 61,65,69,73-Tetramethyl-2,13,17,28,32,43,47,58-octaoxa-4,11,19,26,34,41,49,56-octazaheptadecacyclo[57.15.1.160,74.03,12.05,10.014,72.016,70.018,27.020,25.029,68.031,66.033,42.035,40.044,64.046,62.048,57.050,55]hexaheptaconta-1(75),3,5,7,9,11,14,16(70),18,20,22,24,26,29,31(66),33,35,37,39,41,44(64),45,48,50,52,54,56,59,62,67,71,74(76)-dotriacontaene
• CAS: 83136-22-5
• 化学式: C₆₄H₄₀N₈O₈
• 分子量: 1049.07
• InChiKey: PDYLILJYHCHQFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  80
• 可旋转键数：
  0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  177
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  2,3-二氯喹喔啉 、 Calix[4]resorcinarene 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以34%的产率得到7,17:8,16-dimetheno-9H,11H,13H,15H-quinoxalino<2'',3'':2',3'><1,4>benzodioxonino<10',9':5,6>quinoxalino<2'',3'':2',3'>quinoxalino<2'''',3'''':2''',3'''><1,4>dioxonino<6''',5''':9',10'><1,4>benzodioxonino<6',5':9,10><1,4>benzodioxonino<2,3-b>quinoxaline
  参考文献：
  名称：

  Cavitands: synthetic molecular vessels

  摘要：

  DOI：

  10.1021/ja00385a064

文献信息

• Synthesis of a Zn-salen resorcinarene-based cavitand and its fluorescence response to nitro compounds
  作者：Yujin Lee、Hyo Geun Koo、Seung Pyo Jang、Alan B. Erdmann、Samantha S. Vernetti、Cheal Kim、Roger G. Harrison

  DOI：10.1080/10610278.2013.852673

  日期：2014.3.18

  selectively changes from vase to kite under acidic conditions. Detection by fluorescence quenching of nitro-containing molecules, such as 4-nitrotoluene, 2,4-dinitrotoluene and 2,3-dimethyl-2,3-dinitrobutane was explored by spectrofluorimetry. It was found that the fluorescence of Zn-Cav is efficiently quenched by nitroaromatic compounds.

  报道了含有 Zn-salen (Zn-Cav) 的基于间苯二酚的空洞的合成、光谱表征、构象转换和荧光猝灭效率。Zn-Cav 的合成是通过用 Zn-salen 衍生的喹喔啉和含有三种喹喔啉的间苯二酚基空洞缩合来完成的。1H NMR 光谱证实，在 DMSO 中，氯仿和丙酮 Zn-Cav 存在于花瓶构象中。Zn-Cav 的分子几何形状在酸性条件下选择性地从花瓶变为风筝。通过荧光分光光度法探索了含硝基分子（例如 4-硝基甲苯、2,4-二硝基甲苯和 2,3-二甲基-2,3-二硝基丁烷）的荧光猝灭检测。发现 Zn-Cav 的荧光被硝基芳族化合物有效猝灭。
• Vases and kites as cavitands
  作者：John R. Moran、John L. Ericson、Enrico Dalcanale、Judi A. Bryant、Carolyn B. Knobler、Donald J. Cram

  DOI：10.1021/ja00015a026

  日期：1991.7

  The syntheses, characterizations, and substituent effects on the vase vs kite conformations of 1-17 are described. These compounds are assembled by two-step syntheses from resorcinol (or 2-substituted derivatives) and aldehydes to form octols 18-26 in high yields, followed by 4-fold bridging reactions with quinoxalines 27-29 or pyrazine 30. In the crystal structure of 3.2CH2Cl2, one CH2Cl2 is enclosed in the vase cavity, while a second CH2Cl2 iS found surrounded by the four (CH2)4Cl groups. When the 2-position of resorcinol is hydrogen, only the vase form of the cavitands exists at 25-degrees-C or higher when quinoxaline bridged, as in 1-7, and at all available temperatures when pyrazine bridged, as in 13. The R and B groups of 1-7 can be varied to control solubility and cavity size without greatly affecting the vase-kite structures. When the 2-position of resorcinol is occupied by a methyl, an ethyl, or a bromine, as in 14-17, only the kite conformation is observed at all available temperatures. When the 2-position is hydrogen and the system is quinoxaline, only the kite conformer is observed at temperatures below -50-degrees-C. When the 2-position is CH3, the kite conformer equilibrates with its dimer. When the 2-position is CH3CH2, as in 17, the kite conformer does not form a dimer. The kite C2v structures under pseudorotation and also dimerize when they contain 2-methylresorcinyl groups to give dimers of D2d symmetry. In some systems, these processes could be differentiated by use of variable-temperature H-1 NMR spectra.
• MORAN, J. R.;KARBACH, S.;CRAM, D. J., J. AMER. CHEM. SOC., 1982, 104, N 21, 5826-5828
  作者：MORAN, J. R.、KARBACH, S.、CRAM, D. J.

  DOI：——

  日期：——