1,3-phenylenebis(methylene) bis(3''-(butoxymethyl)-[2,2':5',2''-terthiophene]-5-carboxylate) | 561023-80-1

• 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: 1,3-phenylenebis(methylene) bis(3''-(butoxymethyl)-[2,2':5',2''-terthiophene]-5-carboxylate)
• CAS: 561023-80-1
• 化学式: C₄₄H₄₂O₆S₆
• 分子量: 859.21
• InChiKey: WXQHJYVRRMNUEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.07
• 重原子数：
  56.0
• 可旋转键数：
  20.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  1,3-phenylenebis(methylene) bis(3''-(butoxymethyl)-[2,2':5',2''-terthiophene]-5-carboxylate) 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 以93%的产率得到1,3-phenylenebis(methylene) bis(5''-bromo-3''-(butoxymethyl)-[2,2':5',2''-terthiophene]-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
• 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 、 溶剂黄146 为溶剂， 反应 49.5h， 生成 1,3-phenylenebis(methylene) bis(3''-(butoxymethyl)-[2,2':5',2''-terthiophene]-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