5,5'-bis[8''-(5'''-dodecylthiophen-2'''-yl)tetracen-2''-yl]-4,4'-didodecyl-2,2'-bithiophene | 1179987-73-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 5,5'-bis[8''-(5'''-dodecylthiophen-2'''-yl)tetracen-2''-yl]-4,4'-didodecyl-2,2'-bithiophene
• 英文别名: 3-Dodecyl-5-[4-dodecyl-5-[8-(5-dodecylthiophen-2-yl)tetracen-2-yl]thiophen-2-yl]-2-[8-(5-dodecylthiophen-2-yl)tetracen-2-yl]thiophene；3-dodecyl-5-[4-dodecyl-5-[8-(5-dodecylthiophen-2-yl)tetracen-2-yl]thiophen-2-yl]-2-[8-(5-dodecylthiophen-2-yl)tetracen-2-yl]thiophene
• CAS: 1179987-73-5
• 化学式: C₁₀₀H₁₂₆S₄
• 分子量: 1456.36
• InChiKey: YAZYLSUUTASZBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  41
• 重原子数：
  104
• 可旋转键数：
  49
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(5'-dodecylthiophen-2'-yl)-8-[(pinacolato)boryl]tetracene 、 5,5'-二溴-4,4'-双十二烷基-2,2'-联噻吩 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium phosphate 、 palladium diacetate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 30.0h， 以81%的产率得到5,5'-bis[8''-(5'''-dodecylthiophen-2'''-yl)tetracen-2''-yl]-4,4'-didodecyl-2,2'-bithiophene
  参考文献：
  名称：

  2,8- and 2,9-Diboryltetracenes as Useful Building Blocks for Extended π-Conjugated Tetracenes

  摘要：

  Ir-catalyzed direct diborylation of tetracene gave a 1:1 mixture of 2,8- and 2,9-bis[(pinacolato)boryl]tetracenes, which were separated by recrystallization. These diboryltetracenes are useful building blocks for the regiospecific synthesis of extended pi-conjugated tetracenes directed to semiconductors for organic field-effect transistors (OFETs). Syntheses of thiophene-tetracene-thiophene, thiophene-tetracene-bithiophene-tetracene-thiophene, and thiophene-tetracene-anthracene-tetracene-thiophene pi-systems have been achieved on the basis of the 2,8- and 2,9-diboryltetracenes.

  DOI：

  10.1021/ol901420p