14,34-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,6,22,26-tetrapropoxy-11,13,15,17,31,33,35,37-octathianonacyclo[25.13.1.13,39.15,9.17,21.119,23.125,29.012,16.032,36]hexatetraconta-1(40),2,5,7,9(46),12(16),19(44),20,22,25,27,29(43),32(36),39(42)-tetradecaene | 1310738-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 14,34-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,6,22,26-tetrapropoxy-11,13,15,17,31,33,35,37-octathianonacyclo[25.13.1.13,39.15,9.17,21.119,23.125,29.012,16.032,36]hexatetraconta-1(40),2,5,7,9(46),12(16),19(44),20,22,25,27,29(43),32(36),39(42)-tetradecaene
• 英文别名: 14,34-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,6,22,26-tetrapropoxy-11,13,15,17,31,33,35,37-octathianonacyclo[25.13.1.13,39.15,9.17,21.119,23.125,29.012,16.032,36]hexatetraconta-1(40),2,5,7,9(46),12(16),19(44),20,22,25,27,29(43),32(36),39(42)-tetradecaene
• CAS: 1310738-27-2
• 化学式: C₆₀H₆₄O₄S₁₆
• 分子量: 1362.22
• InChiKey: NWORYDQQZKIBFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.2
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  442
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  25,26,27,28-tetrapropyloxycalix[4]arene 在 甲醇 、 cesium hydroxide 、 磷酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 14,34-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2,6,22,26-tetrapropoxy-11,13,15,17,31,33,35,37-octathianonacyclo[25.13.1.13,39.15,9.17,21.119,23.125,29.012,16.032,36]hexatetraconta-1(40),2,5,7,9(46),12(16),19(44),20,22,25,27,29(43),32(36),39(42)-tetradecaene
  参考文献：
  名称：

  Upper rim tetrathiafulvalene-bridged calix[4]arenes

  摘要：

  The synthesis of novel upper rim calix[4]arene-tetrathiafulvalene conjugates 1a-d has been performed by bridging the tetrachloromethylated calix[4]arene derivative 4 with the corresponding tetrathiafulvalene-dithiolates. The cyclic voltammetry of 1a-d shows a two-step oxidation behavior, whereas NMR binding titrations showed their binding affinity to pyridinium salts. X-ray structure of 4 features calixarene fixed in the pinched cone conformation; its crystal packing is defined by the network of C-H center dot center dot center dot Cl weak hydrogen bonds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.140

文献信息

• Calix[4]arenes with 1,2- and 1,3-upper rim tetrathiafulvalene bridges
  作者：Matthias H. Düker、Felix Kutter、Thomas Dülcks、Vladimir A. Azov

  DOI：10.1080/10610278.2013.872245

  日期：2014.8.3

  Herein we report the synthesis of several calix[4]arene derivatives with tetrathiafulvalene bridges at the upper rim. Calix[4]arene-tetrathiafulvalene (TTF) conjugates 4a–d, fixed in cone conformation and comprising two smaller 1,2-bridges, were prepared by cyclisation of tetrakis-chloromethylated calix[4]arene 1 with 2,3-dithiolates of TTFs. Larger calix[4]arene-TTF macrocycles 14 and 15, also in

  在这里，我们报告了几种杯[4]芳烃衍生物的合成，在上缘具有四硫富瓦烯桥。杯[4] 芳烃-四硫富瓦烯 (TTF) 共轭物 4a-d，固定为锥形构象并包含两个较小的 1,2-桥，通过四氯甲基化杯 [4] 芳烃 1 与 2,3-二硫醇盐的环化制备TTF。较大的杯 [4] 芳烃-TTF 大环 14 和 15，同样为锥形构象，包含 1,3-桥，通过用双溴甲基化杯 [4] 环化 TTF 的 2,6- 和 2,7-二硫醇盐合成芳烃 7. 使用循环伏安法表征新杯[4]芳烃-TTF缀合物的氧化还原特性。