2,6-bis[9'-(5''-dodecylthiophen-2''-yl)tetracen-2'-yl]-9,10-bis(triisopropysilyllethynyl)anthracene | 1179987-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 2,6-bis[9'-(5''-dodecylthiophen-2''-yl)tetracen-2'-yl]-9,10-bis(triisopropysilyllethynyl)anthracene
• 英文别名: 2-[2,6-Bis[9-(5-dodecylthiophen-2-yl)tetracen-2-yl]-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane；2-[2,6-bis[9-(5-dodecylthiophen-2-yl)tetracen-2-yl]-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
• CAS: 1179987-75-7
• 化学式: C₁₀₄H₁₂₂S₂Si₂
• 分子量: 1492.42
• InChiKey: GFKZAGICMDORTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.77
• 重原子数：
  108
• 可旋转键数：
  36
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-dibromo-9,10-bis(triisopropylsilylethynyl)anthracene 、 2-(5'-dodecylthiophen-2'-yl)-9-[(pinacolato)boryl]tetracene 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90%的产率得到2,6-bis[9'-(5''-dodecylthiophen-2''-yl)tetracen-2'-yl]-9,10-bis(triisopropysilyllethynyl)anthracene
  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