nonane-1,9-diyl bis(5'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-[2,2'-bithiophene]-5-carboxylate) | 561023-75-4

• 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'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-[2,2'-bithiophene]-5-carboxylate)
• CAS: 561023-75-4
• 化学式: C₃₉H₃₆O₈S₆
• 分子量: 825.106
• InChiKey: XSBHBINNTKMKFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.01
• 重原子数：
  53.0
• 可旋转键数：
  16.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  nonane-1,9-diyl bis(5'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-[2,2'-bithiophene]-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98%的产率得到nonane-1,9-diyl bis(5'-(7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-[2,2'-bithiophene]-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：

  1,9-二溴壬烷 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 18-冠醚-6 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 145.0h， 生成 nonane-1,9-diyl bis(5'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-[2,2'-bithiophene]-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