32,65-Dimethyl-8,9,22,23,41,42,55,56-octakis(2-octyldodecoxy)-3,14,17,28,36,47,50,61-octathianonadecacyclo[61.3.1.12,5.112,15.116,19.126,29.130,34.135,38.145,48.149,52.159,62.04,13.06,11.018,27.020,25.037,46.039,44.051,60.053,58]hexaheptaconta-1(67),2(76),4,6,8,10,12,15(75),16(74),18,20,22,24,26,29(73),30(72),31,33,35(71),37,39,41,43,45,48(70),49(69),51,53,55,57,59,62(68),63,65-tetratriacontaene | 1338977-91-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 32,65-Dimethyl-8,9,22,23,41,42,55,56-octakis(2-octyldodecoxy)-3,14,17,28,36,47,50,61-octathianonadecacyclo[61.3.1.12,5.112,15.116,19.126,29.130,34.135,38.145,48.149,52.159,62.04,13.06,11.018,27.020,25.037,46.039,44.051,60.053,58]hexaheptaconta-1(67),2(76),4,6,8,10,12,15(75),16(74),18,20,22,24,26,29(73),30(72),31,33,35(71),37,39,41,43,45,48(70),49(69),51,53,55,57,59,62(68),63,65-tetratriacontaene
• 英文别名: 32,65-dimethyl-8,9,22,23,41,42,55,56-octakis(2-octyldodecoxy)-3,14,17,28,36,47,50,61-octathianonadecacyclo[61.3.1.12,5.112,15.116,19.126,29.130,34.135,38.145,48.149,52.159,62.04,13.06,11.018,27.020,25.037,46.039,44.051,60.053,58]hexaheptaconta-1(67),2(76),4,6,8,10,12,15(75),16(74),18,20,22,24,26,29(73),30(72),31,33,35(71),37,39,41,43,45,48(70),49(69),51,53,55,57,59,62(68),63,65-tetratriacontaene
• CAS: 1338977-91-5
• 化学式: C₂₃₀H₃₅₆O₈S₈
• 分子量: 3505.88
• InChiKey: LADYYVGNWMHUDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  97.1
• 重原子数：
  246
• 可旋转键数：
  152
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  300
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  4-[3-[14,15-Bis(2-octyldodecoxy)-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaen-4-yl]-5-methylphenyl]-14,15-bis(2-octyldodecoxy)-5,8-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene 在 iron(III) chloride 作用下， 以 氯仿 为溶剂， 反应 110.0h， 以27%的产率得到32,65-Dimethyl-8,9,22,23,41,42,55,56-octakis(2-octyldodecoxy)-3,14,17,28,36,47,50,61-octathianonadecacyclo[61.3.1.12,5.112,15.116,19.126,29.130,34.135,38.145,48.149,52.159,62.04,13.06,11.018,27.020,25.037,46.039,44.051,60.053,58]hexaheptaconta-1(67),2(76),4,6,8,10,12,15(75),16(74),18,20,22,24,26,29(73),30(72),31,33,35(71),37,39,41,43,45,48(70),49(69),51,53,55,57,59,62(68),63,65-tetratriacontaene
  参考文献：
  名称：

  大环噻吩的氧化偶联途径及其在供体/受体杂化分子合成中的应用。

  摘要：

  据报导，在假高稀释条件下，通过氧化噻吩偶合而形成亚苯基-联噻吩大环的途径。该方法适用于形状持久的噻吩大环的合成，该环具有环外连接的per双酰亚胺部分，该部分在固/液界面形成超分子聚集体。

  DOI：

  10.1039/c1cc14664e

文献信息

• An oxidative coupling route to macrocyclic thiophenes and its application in the synthesis of a donor/acceptor hybrid molecule
  作者：Stefan K. Maier、Stefan-S. Jester、Ute Müller、Walter M. Müller、Sigurd Höger

  DOI：10.1039/c1cc14664e

  日期：——

  A route towards phenylene-bithiophene macrocycles via oxidative thiophene coupling under pseudo-high dilution conditions is reported. This method is applied to the synthesis of a shape-persistent thiophene macrocycle with extraannularly attached perylenebisimide moieties that forms supramolecular aggregates at the solid/liquid interface.

  据报导，在假高稀释条件下，通过氧化噻吩偶合而形成亚苯基-联噻吩大环的途径。该方法适用于形状持久的噻吩大环的合成，该环具有环外连接的per双酰亚胺部分，该部分在固/液界面形成超分子聚集体。