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-7,11,15,28-tetramethanol | 95799-47-6

• 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-7,11,15,28-tetramethanol
• 英文别名: [12,18,39-tris(hydroxymethyl)-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)-dodecaen-6-yl]methanol
• CAS: 95799-47-6
• 化学式: C₄₀H₄₀O₁₂
• 分子量: 712.75
• InChiKey: RJGNOMIQBRTOJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  52.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  154.76
• 氢给体数：
  4.0
• 氢受体数：
  12.0

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-7,11,15,28-tetramethanol 在 N-氯代丁二酰亚胺 、 三苯基膦 作用下， 以99%的产率得到7,11,15,28-tetrakis(chloromethyl)-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：

  两个空腔的壳闭合形成carcerand复合体，介质的成分作为永久客体

  摘要：

  Etude de l'obtention d'un carcerand a partir de 2 tetrakis-mercaptomethyl tetramethyl [1 4 ] metacyclophanes pontes par 4 ponts亚甲二氧基（les 2分子 de cavitand sont reliees par 4 ponts methanothiomethano）；le carcerand est obtenu sous forme de complexe avec les constituants du milieu

  DOI：

  10.1021/ja00294a076
• 作为产物：
  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-7,11,15,28-tetracarboxylic acid tetramethyl ester (1R^*,21R^*,23S^*,25S^*) 在 lithium aluminium tetrahydride 作用下， 以77%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-7,11,15,28-tetramethanol
  参考文献：
  名称：

  两个空腔的壳闭合形成carcerand复合体，介质的成分作为永久客体

  摘要：

  Etude de l'obtention d'un carcerand a partir de 2 tetrakis-mercaptomethyl tetramethyl [1 4 ] metacyclophanes pontes par 4 ponts亚甲二氧基（les 2分子 de cavitand sont reliees par 4 ponts methanothiomethano）；le carcerand est obtenu sous forme de complexe avec les constituants du milieu

  DOI：

  10.1021/ja00294a076

文献信息

• Synthesis and caesium complexing properties of water-soluble cavitands
  作者：Stéphane Pellet-Rostaing、Laurence Nicod、Frédéric Chitry、Marc Lemaire

  DOI：10.1016/s0040-4039(99)01870-5

  日期：1999.12

  Cs+-ligand interactions of synthesized hydrosoluble cavitands like tetrol 5, tetra(carboxymethyl) 11 and tetra-(diethanolaminomethyl) 12 were studied in basic aqueous media by UV-visible analysis. Receptor 5 showed a rather high affinity for the caesium ion.

  CS + -配体等四醇合成水溶性cavitands的相互作用5，四（羧甲基）11和四- （diethanolaminomethyl）12，通过紫外-可见分析在碱性含水介质的研究。受体5显示出对铯离子的相当高的亲和力。
• Design and Preparation of Mesogenic Cavitands
  作者：Laura Pirondini、Gabriele Vecchi、Sara Negri、Alfredo Di Blasi、Chiara Massera、Enrico Dalcanale

  DOI：10.1135/cccc20041362

  日期：——

  Mesogenic cavitands have been prepared for the first time. They form uniaxial disordered columnar mesophases (D_hd). The structure requirements for mesophase formation have been identified: (i) macrocyclic cores with thickness below 5 Å and (ii) four large (3,4,5-tris[4-(dodecyloxy)benzyl]oxy}benzoyl)oxy groups at the upper rim. The orientation of the molecules within the columns is random, excluding the formation of intracolumnar cavities of molecular dimensions in the mesophase.

  首次制备了介向空腔分子，它们形成了单轴无序柱状介质（D_hd）。已经确定了介质形成的结构要求：（i）宏环核心厚度低于5 Å，（ii）上缘有四个大的（3,4,5-三[4-(十二烷氧基)苯基]氧基}苯甲酰）氧基基团。柱内分子的方向是随机的，排除了介质中分子尺寸的柱内空腔的形成。
• Synthesis of polyhydroxy cavitands and intramolecular inclusion of their octaester derivatives
  作者：Eric Efrain Dueno、Kirpal S. Bisht

  DOI：10.1016/j.tet.2004.09.042

  日期：2004.11

  A facile and efficient synthesis of novel cavitands containing eight hydroxyl groups was accomplished in eight steps beginning from commercially available resorcinol and the corresponding aldehydes. The synthesis combines two classical approaches to cavitand chemistry and yields the target octol cavitand molecules in gram quantities with no chromatographic separations. A variety of octaester cavitand derivatives were then prepared from the parent octols and their spectral properties are reported. (C) 2004 Elsevier Ltd. All rights reserved.
• 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