3,16-Didodecyl-6,13,31,38-tetraoxa-23,26-dithiahexacyclo[16.12.8.05,30.014,19.020,24.025,29]octatriaconta-1(30),2,4,14,16,18,20(24),21,25(29),27-decaene | 1252579-55-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,16-Didodecyl-6,13,31,38-tetraoxa-23,26-dithiahexacyclo[16.12.8.05,30.014,19.020,24.025,29]octatriaconta-1(30),2,4,14,16,18,20(24),21,25(29),27-decaene
• 英文别名: 3,16-didodecyl-6,13,31,38-tetraoxa-23,26-dithiahexacyclo[16.12.8.05,30.014,19.020,24.025,29]octatriaconta-1(30),2,4,14,16,18,20(24),21,25(29),27-decaene
• CAS: 1252579-55-7
• 化学式: C₅₆H₈₂O₄S₂
• 分子量: 883.397
• InChiKey: YUILWNHUTVBNSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.9
• 重原子数：
  62
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  93.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,16-Didodecyl-6,13,31,38-tetraoxa-23,26-dithiahexacyclo[16.12.8.05,30.014,19.020,24.025,29]octatriaconta-1(30),2,4,14,16,18,20(24),21,25(29),27-decaene 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以48%的产率得到
  参考文献：
  名称：

  A Self-Threading Polythiophene: Defect-Free Insulated Molecular Wires Endowed with Long Effective Conjugation Length

  摘要：

  Herein, we report on a self-threading polythiophene whose conjugated molecular wire is sheathed within its own cyclic side chains. The defect-free insulating layer prevents electronic cross-communication between the adjacent polythiophene backbone even in the solid film. Notably, the covalently linked cyclic side chains extend the effective conjugation length of the interior polythiophene backbone, which results in an excellent intrawire hole mobility of 0.9 cm(2) V-1 s(-1).

  DOI：

  10.1021/ja107444m
• 作为产物：
  描述：

  在 palladium on carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 3,16-Didodecyl-6,13,31,38-tetraoxa-23,26-dithiahexacyclo[16.12.8.05,30.014,19.020,24.025,29]octatriaconta-1(30),2,4,14,16,18,20(24),21,25(29),27-decaene
  参考文献：
  名称：

  A Self-Threading Polythiophene: Defect-Free Insulated Molecular Wires Endowed with Long Effective Conjugation Length

  摘要：

  Herein, we report on a self-threading polythiophene whose conjugated molecular wire is sheathed within its own cyclic side chains. The defect-free insulating layer prevents electronic cross-communication between the adjacent polythiophene backbone even in the solid film. Notably, the covalently linked cyclic side chains extend the effective conjugation length of the interior polythiophene backbone, which results in an excellent intrawire hole mobility of 0.9 cm(2) V-1 s(-1).

  DOI：

  10.1021/ja107444m

文献信息

• A Self-Threading Polythiophene: Defect-Free Insulated Molecular Wires Endowed with Long Effective Conjugation Length
  作者：Kazunori Sugiyasu、Yoshihito Honsho、Ryan M. Harrison、Akira Sato、Takeshi Yasuda、Shu Seki、Masayuki Takeuchi

  DOI：10.1021/ja107444m

  日期：2010.10.27

  Herein, we report on a self-threading polythiophene whose conjugated molecular wire is sheathed within its own cyclic side chains. The defect-free insulating layer prevents electronic cross-communication between the adjacent polythiophene backbone even in the solid film. Notably, the covalently linked cyclic side chains extend the effective conjugation length of the interior polythiophene backbone, which results in an excellent intrawire hole mobility of 0.9 cm(2) V-1 s(-1).