1,21,23,25-tetramethyl-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 | 83136-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1,21,23,25-tetramethyl-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
• 英文别名: 1,21,23,25-tetramethyl-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；25,29,33,37-Tetramethyl-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
• CAS: 83136-19-0
• 化学式: C₃₆H₃₂O₈
• 分子量: 592.645
• InChiKey: HBYHXYOSLKIUIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,21,23,25-tetramethyl-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 碘 、 苯基锂 作用下， 以 乙醚 、 环己烷 为溶剂， 以40%的产率得到7,11,15,28-tetraiodo-1,21,23,25-tetramethyl-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
  参考文献：
  名称：

  Host-guest complexation. 46. Cavitands as open molecular vessels form solvates

  摘要：

  DOI：

  10.1021/ja00215a037
• 作为产物：
  描述：

  溴氯甲烷 、 Calix[4]resorcinarene 在 potassium carbonate 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 120.0h， 以23%的产率得到1,21,23,25-tetramethyl-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
  参考文献：
  名称：

  Host-guest complexation. 46. Cavitands as open molecular vessels form solvates

  摘要：

  DOI：

  10.1021/ja00215a037

文献信息

• Cavitands: synthetic molecular vessels
  作者：John R. Moran、Stefan Karbach、Donald J. Cram

  DOI：10.1021/ja00385a064

  日期：1982.10
• Host-guest complexation. 47. Carcerands and carcaplexes, the first closed molecular container compounds
  作者：Donald J. Cram、Stefan. Karbach、Young Hwan. Kim、Lubomir. Baczynskyj、Kurt. Marti、Russ M. Sampson、Gregory W. Kalleymeyn

  DOI：10.1021/ja00216a031

  日期：1988.4
• Selective chloromethylation of cavitand at the upper rim and induced fit type complexation with metal cations by new cavitands: Aza-crown-modified cavitands
  作者：Fumio Hamada、Shigeki Ito、Miyuki Narita、Norio Nashirozawa

  DOI：10.1016/s0040-4039(98)02702-6

  日期：1999.2

  Regioselective mono and dis-chloromethylation of cavitands have been prepared as an intermediate of a new cavitand derivative. Mono- and bis-aza-15-crown-5 modified cavitands (4 and 5, respectively) have been obtained from mono-and bis-chloromethylated cavitands, respectively. The metal binding properties of native cavitand (1), 4 and 5 were studied by H-1-NMR and UV-V is spectroscopy. (C) 1999 Elsevier Science Ltd. All rights reserved.
• 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：——