7,7'-di(9,9-dioctylfluoren-2-yl)-4,4'-bis(2,1,3-benzothiadiazole) | 1088119-09-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 7,7'-di(9,9-dioctylfluoren-2-yl)-4,4'-bis(2,1,3-benzothiadiazole)
• 英文别名: 7-(9,9-Dioctylfluoren-2-yl)-4-[7-(9,9-dioctylfluoren-2-yl)-2,1,3-benzothiadiazol-4-yl]-2,1,3-benzothiadiazole；7-(9,9-dioctylfluoren-2-yl)-4-[7-(9,9-dioctylfluoren-2-yl)-2,1,3-benzothiadiazol-4-yl]-2,1,3-benzothiadiazole
• CAS: 1088119-09-8
• 化学式: C₇₀H₈₆N₄S₂
• 分子量: 1047.61
• InChiKey: MQTREZIHISXVGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.7
• 重原子数：
  76
• 可旋转键数：
  31
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  9,9-二-n-辛基芴-2-硼酸频那醇酯 、 7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole) 在 四(三苯基膦)钯 、 四丁基溴化铵 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 以50%的产率得到7,7'-di(9,9-dioctylfluoren-2-yl)-4,4'-bis(2,1,3-benzothiadiazole)
  参考文献：
  名称：

  A Simple Route toward the Synthesis of Bisbenzothiadiazole Derivatives

  摘要：

  A simple and efficient route toward the synthesis of 4,4'-bis(2,1,3-benzothiadiazole) and 7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole) has been developed. Oligomers were synthesized with bisbenzothiadiazole units either at the periphery or core, and each oligomer was characterized by X-ray crystallography. Both crystal structures display supramolecular interactions between the conjugated backbones, although the former, bearing two bisbenzothiadiazole units, has extended interactions within layers that engage all of the thiadiazole rings.

  DOI：

  10.1021/ol8022837

文献信息

• A Simple Route toward the Synthesis of Bisbenzothiadiazole Derivatives
  作者：Piyush Anant、Nigel T. Lucas、Josemon Jacob

  DOI：10.1021/ol8022837

  日期：2008.12.18

  A simple and efficient route toward the synthesis of 4,4'-bis(2,1,3-benzothiadiazole) and 7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole) has been developed. Oligomers were synthesized with bisbenzothiadiazole units either at the periphery or core, and each oligomer was characterized by X-ray crystallography. Both crystal structures display supramolecular interactions between the conjugated backbones, although the former, bearing two bisbenzothiadiazole units, has extended interactions within layers that engage all of the thiadiazole rings.