19,25,31,36-Tetratert-butyl-40,41-dihydroxy-3,15-dioxa-6,8,10,12-tetrathiaheptacyclo[15.15.7.123,27.134,38.02,29.07,11.016,21]hentetraconta-1,7(11),16,18,20,23(41),24,26,29,31,34,36,38(40)-tridecaene-9-thione | 863915-93-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 19,25,31,36-Tetratert-butyl-40,41-dihydroxy-3,15-dioxa-6,8,10,12-tetrathiaheptacyclo[15.15.7.123,27.134,38.02,29.07,11.016,21]hentetraconta-1,7(11),16,18,20,23(41),24,26,29,31,34,36,38(40)-tridecaene-9-thione
• CAS: 863915-93-9
• 化学式: C₅₁H₆₂O₄S₅
• 分子量: 899.381
• InChiKey: RDWAHMYYISPYJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  60
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  192
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  19,25,31,36-Tetratert-butyl-40,41-dihydroxy-3,15-dioxa-6,8,10,12-tetrathiaheptacyclo[15.15.7.123,27.134,38.02,29.07,11.016,21]hentetraconta-1,7(11),16,18,20,23(41),24,26,29,31,34,36,38(40)-tridecaene-9-thione 在 mercury(II) diacetate 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 20.0h， 以70%的产率得到19,25,31,36-Tetratert-butyl-40,41-dihydroxy-3,15-dioxa-6,8,10,12-tetrathiaheptacyclo[15.15.7.123,27.134,38.02,29.07,11.016,21]hentetraconta-1,7(11),16,18,20,23(41),24,26,29,31,34,36,38(40)-tridecaen-9-one
  参考文献：
  名称：

  Bis-calix[4]arenes Bridged by an Electroactive Tetrathiafulvalene Unit

  摘要：

  Syntheses of the first bis-calixarenes systems bridged by a tetrathiafulvalene (TTF) framework 5a,b have been carried out in good yields through triethyl phosphite-mediated dechalcogenation-dimerizations of the corresponding 1,3-dithiole-2-(thi)ones 3 or 4. X-ray structures of the calix[41arene-TTF-calix[4]arene assembly 5b and of the calix[4]arene-thione intermediate 3b are analyzed and confirm the cone conformations adopted by the calix[4]arene parts, as it is also observed by H-1 NMR analysis of these systems. The solid-state organization in 5b leads to alternate layers of calixarene and TTF units. The cyclic voltammograms of 5a,b show as expected a two-step redox behavior but display a CV deformation for the second redox process.

  DOI：

  10.1021/jo0505876
• 作为产物：
  描述：

  bis(tetraetylammonium) bis(thioxo-1,3-dithiole-4,5-dithiolato)zincate(II) 、 25,27-bis(2-bromoethoxy)-26,28-dihydroxy-5,11,17,23-tetra(tert-butyl)calixarene 以 乙腈 为溶剂， 反应 20.0h， 以50%的产率得到19,25,31,36-Tetratert-butyl-40,41-dihydroxy-3,15-dioxa-6,8,10,12-tetrathiaheptacyclo[15.15.7.123,27.134,38.02,29.07,11.016,21]hentetraconta-1,7(11),16,18,20,23(41),24,26,29,31,34,36,38(40)-tridecaene-9-thione
  参考文献：
  名称：

  Bis-calix[4]arenes Bridged by an Electroactive Tetrathiafulvalene Unit

  摘要：

  Syntheses of the first bis-calixarenes systems bridged by a tetrathiafulvalene (TTF) framework 5a,b have been carried out in good yields through triethyl phosphite-mediated dechalcogenation-dimerizations of the corresponding 1,3-dithiole-2-(thi)ones 3 or 4. X-ray structures of the calix[41arene-TTF-calix[4]arene assembly 5b and of the calix[4]arene-thione intermediate 3b are analyzed and confirm the cone conformations adopted by the calix[4]arene parts, as it is also observed by H-1 NMR analysis of these systems. The solid-state organization in 5b leads to alternate layers of calixarene and TTF units. The cyclic voltammograms of 5a,b show as expected a two-step redox behavior but display a CV deformation for the second redox process.

  DOI：

  10.1021/jo0505876

文献信息

• Bis-calix[4]arenes Bridged by an Electroactive Tetrathiafulvalene Unit
  作者：Bang-Tun Zhao、María-Jesús Blesa、Nicolas Mercier、Franck Le Derf、Marc Sallé

  DOI：10.1021/jo0505876

  日期：2005.8.1

  Syntheses of the first bis-calixarenes systems bridged by a tetrathiafulvalene (TTF) framework 5a,b have been carried out in good yields through triethyl phosphite-mediated dechalcogenation-dimerizations of the corresponding 1,3-dithiole-2-(thi)ones 3 or 4. X-ray structures of the calix[41arene-TTF-calix[4]arene assembly 5b and of the calix[4]arene-thione intermediate 3b are analyzed and confirm the cone conformations adopted by the calix[4]arene parts, as it is also observed by H-1 NMR analysis of these systems. The solid-state organization in 5b leads to alternate layers of calixarene and TTF units. The cyclic voltammograms of 5a,b show as expected a two-step redox behavior but display a CV deformation for the second redox process.