nonane-1,9-diyl bis(5'''-bromo-3'',3'''-bis(butoxymethyl)-[2,2':5',2'':5'',2'''-quaterthiophene]-5-carboxylate) | 561023-69-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: nonane-1,9-diyl bis(5'''-bromo-3'',3'''-bis(butoxymethyl)-[2,2':5',2'':5'',2'''-quaterthiophene]-5-carboxylate)
• CAS: 561023-69-6
• 化学式: C₆₃H₇₄Br₂O₈S₈
• 分子量: 1375.61
• InChiKey: YUVBGBXAFBWEEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.72
• 重原子数：
  81.0
• 可旋转键数：
  38.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (5'-Trimethylstannanyl-[2,2']bithiophenyl-5-yl)-phosphonic acid diethyl ester 、 nonane-1,9-diyl bis(5'''-bromo-3'',3'''-bis(butoxymethyl)-[2,2':5',2'':5'',2'''-quaterthiophene]-5-carboxylate) 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以10%的产率得到9-[5-[5-[3-(Butoxymethyl)-5-[3-(butoxymethyl)-5-[5-[5-[diethoxy(oxido)phosphaniumyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbonyl]oxynonyl 5-[5-[3-(butoxymethyl)-5-[3-(butoxymethyl)-5-[5-[5-[diethoxy(oxido)phosphaniumyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
  参考文献：
  名称：

  Synthesis of Bridged Oligothiophenes:  Toward a New Class of Thiophene-Based Electroactive Surfactants

  摘要：

  A series of bridged oligothiophenes have been synthesized. Their novel molecular architecture, comprising two oligothiophenes linked together by a bridge at one a-extremity and one binding group at the other a-extremity, is expected to improve their utility as electroactive surfactants for semiconducting nanoparticles or organic electronics.

  DOI：

  10.1021/ol034398q
• 作为产物：
  描述：

  3-噻吩甲醇 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.5h， 生成 nonane-1,9-diyl bis(5'''-bromo-3'',3'''-bis(butoxymethyl)-[2,2':5',2'':5'',2'''-quaterthiophene]-5-carboxylate)
  参考文献：
  名称：

  Synthesis of Bridged Oligothiophenes:  Toward a New Class of Thiophene-Based Electroactive Surfactants

  摘要：

  A series of bridged oligothiophenes have been synthesized. Their novel molecular architecture, comprising two oligothiophenes linked together by a bridge at one a-extremity and one binding group at the other a-extremity, is expected to improve their utility as electroactive surfactants for semiconducting nanoparticles or organic electronics.

  DOI：

  10.1021/ol034398q