25,29,33,37-Tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,12,18,39-tetracarbaldehyde | 132803-55-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 25,29,33,37-Tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,12,18,39-tetracarbaldehyde
• CAS: 132803-55-5
• 化学式: C₆₈H₅₆O₁₂
• 分子量: 1065.19
• InChiKey: NEFZXFZZCCIHRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  142
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  25,29,33,37-Tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,12,18,39-tetracarbaldehyde 、 间苯二胺 在 吡啶 作用下， 反应 96.0h， 以45%的产率得到
  参考文献：
  名称：

  包含四个传送门的 hemicarcerand 对大客人的限制性约束

  摘要：

  我们举例说明了通过收缩结合稳定的半纤维素复合物，通过加热可形成和解离。客体与[2.2]对环芳烷一样大。类似的药物复合物可能会用作递送系统

  DOI：

  10.1021/ja00007a060
• 作为产物：
  描述：

  N-甲酰吗啉 、 7,11,15,28-tetrabromo-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 在 正丁基锂 作用下， 生成 25,29,33,37-Tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,12,18,39-tetracarbaldehyde
  参考文献：
  名称：

  包含四个传送门的 hemicarcerand 对大客人的限制性约束

  摘要：

  我们举例说明了通过收缩结合稳定的半纤维素复合物，通过加热可形成和解离。客体与[2.2]对环芳烷一样大。类似的药物复合物可能会用作递送系统

  DOI：

  10.1021/ja00007a060

文献信息

• QUAN, MIMI L. C.;CRAM, DONALD J., J. AMER. CHEM. SOC., 113,(1991) N, C. 2754-2755
  作者：QUAN, MIMI L. C.、CRAM, DONALD J.

  DOI：——

  日期：——
• Constrictive binding of large guests by a hemicarcerand containing four portals
  作者：Mimi L. C. Quan、Donald J. Cram

  DOI：10.1021/ja00007a060

  日期：1991.3

  We have exemplified hemicarceplexes stabilized by constrictive binding, and formable and dissociable by heating. The guests are as large as [2.2] paracyclophane. Similar complexes of drugs might find use as delivery systems

  我们举例说明了通过收缩结合稳定的半纤维素复合物，通过加热可形成和解离。客体与[2.2]对环芳烷一样大。类似的药物复合物可能会用作递送系统
• Electrochemistry of Encapsulated Guests: Ferrocene inside Cram's Hemicarcerands
  作者：Sandra Mendoza、Pablo D. Davidov、Angel E. Kaifer

  DOI：10.1002/(sici)1521-3765(19980515)4:5<864::aid-chem864>3.0.co;2-w

  日期：——

  The voltammetric behavior of ferrocene encapsulated inside two hemicarcerand hosts was investigated in dichloromethane and tetrachloroethane solutions. Molecular encapsulation led to substantial changes in the anodic voltammetric behavior of the ferrocene nucleus. Generally, encapsulated ferrocene exhibited a more positive halfwave oxidation potential and a lower apparent standard rate constant of heterogeneous electron transfer than uncomplexed ferrocene under identical experimental conditions. Whereas the anodic shift of the half-wave potential probably results from the hindered solvation of the positively charged, oxidized ferrocene inside the nonpolar hemicarcerand cavities, the observed decrease in electron transfer rate seems to arise primarily from the increased molecular mass of the electro-inactive species and the longer distance of maximum approach between the ferrocene center and the electrode surface which is imposed by the encapsulating host, Generally, electrochemical oxidation did not significantly alter the slow rate of ferrocene guest dissociation or release from the hemicarceplexes surveyed.