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 | 134731-84-3

• 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: 26,35,44,47-tetramethyl-9,11,13,15-tetrapentyl-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'''><1,4>dioxonino<6''',5''':9',10'><1,4>benzodioxonino<6',5':9,10><1,4>benzodioxo..
• CAS: 134731-84-3
• 化学式: C₈₄H₈₀N₈O₈
• 分子量: 1329.61
• InChiKey: NQMLIONZXUTJPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.45
• 重原子数：
  100.0
• 可旋转键数：
  16.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  176.96
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  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 以 氘代氯仿 为溶剂， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  High preorganization of large lipophilic surfaces common to two complexing partners provides high binding free energies that vary dramatically with changes in organic solvent composition

  摘要：

  DOI：

  10.1021/ja00159a061
• 作为产物：
  描述：

  2,3-二氯喹喔啉 、 5,11,17,23-Tetramethyl-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 以30%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：

  Vases and kites as cavitands

  摘要：

  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.

  DOI：

  10.1021/ja00015a026

文献信息

• Cram, Donald J.; Choi, Heung-Jin; Bryant, Judi A., Journal of the American Chemical Society, 1992, vol. 114, # 20, p. 7748 - 7765
  作者：Cram, Donald J.、Choi, Heung-Jin、Bryant, Judi A.、Knobler, Carolyn B.

  DOI：——

  日期：——