1,15,23,25,47,49,57,67-octakis-(2-phenylethyl)-31,41-(epoxymethanoxy)-17,21,:51,55-dimethano-2,46:14,26-dimetheno-3,45,13,27-(methynoxymethanoxymethyno)-1H,15H,23H,25H,47H,49H-bis[1,3]benzodioxocino[9,8-d:9',8'-d']bis[1,3]benzodioxocino[9',10':14,...].. | 121424-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,15,23,25,47,49,57,67-octakis-(2-phenylethyl)-31,41-(epoxymethanoxy)-17,21,:51,55-dimethano-2,46:14,26-dimetheno-3,45,13,27-(methynoxymethanoxymethyno)-1H,15H,23H,25H,47H,49H-bis[1,3]benzodioxocino[9,8-d:9',8'-d']bis[1,3]benzodioxocino[9',10':14,...]..
• CAS: 121424-75-7
• 化学式: C₂H₆OS*C₁₃₂H₁₁₂O₂₄
• 分子量: 2160.46
• InChiKey: VVJCMFOEMXXEPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.86
• 重原子数：
  160.0
• 可旋转键数：
  24.0
• 环数：
  31.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  238.59
• 氢给体数：
  0.0
• 氢受体数：
  25.0

反应信息

• 作为反应物：
  描述：

  1,15,23,25,47,49,57,67-octakis-(2-phenylethyl)-31,41-(epoxymethanoxy)-17,21,:51,55-dimethano-2,46:14,26-dimetheno-3,45,13,27-(methynoxymethanoxymethyno)-1H,15H,23H,25H,47H,49H-bis[1,3]benzodioxocino[9,8-d:9',8'-d']bis[1,3]benzodioxocino[9',10':14,...].. 、 N,N-二甲基甲酰胺 反应 12.0h， 生成
  参考文献：
  名称：

  Sherman, John C.; Knobler, Carolyn B.; Cram, Donald J., Journal of the American Chemical Society, 1991, vol. 113, # 6, p. 2194 - 2204

  摘要：

  DOI：
• 作为产物：
  描述：

  溴氯甲烷 、 1,21,23,25-tetrakis(2-phenylethyl)-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocin-7,11,15,28-tetrol 、 二甲基亚砜 在 caesium carbonate 作用下， 反应 72.0h， 以61%的产率得到1,15,23,25,47,49,57,67-octakis-(2-phenylethyl)-31,41-(epoxymethanoxy)-17,21,:51,55-dimethano-2,46:14,26-dimetheno-3,45,13,27-(methynoxymethanoxymethyno)-1H,15H,23H,25H,47H,49H-bis[1,3]benzodioxocino[9,8-d:9',8'-d']bis[1,3]benzodioxocino[9',10':14,...]..
  参考文献：
  名称：

  Sherman, John C.; Knobler, Carolyn B.; Cram, Donald J., Journal of the American Chemical Society, 1991, vol. 113, # 6, p. 2194 - 2204

  摘要：

  DOI：

文献信息

• Templation in the Formation of Carceplexes
  作者：Robert G. Chapman、John C. Sherman

  DOI：10.1021/jo9803582

  日期：1998.6.1

  The formation of carceplexes and hemicarceplexes involves an assembly process whereby a molecular template is entrapped between two bowl-shaped molecules. The process can be highly selective such that a million-fold range in template recognition has been realized. The relative template abilities, or template ratios, for 34 molecules in forming carceplex a guest is described. Species with one, two, and three bridges linking the two "bowls" are reported and were used to delineate the guest-determining step of the reaction. The effect of base and solvent on the reaction are also described, and a discussion of the reaction mechanism is presented.