4,4'-(8,9-bis(octyloxy)naphtho[1,2-b:4,3-b']dithiophene-2,5-diyl)bis(3-(benzo[1,2-b:4,3-b']dithiophen-2-yl)-1-methyl-1H-pyrrole-2,5-dione) | 1441421-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,4'-(8,9-bis(octyloxy)naphtho[1,2-b:4,3-b']dithiophene-2,5-diyl)bis(3-(benzo[1,2-b:4,3-b']dithiophen-2-yl)-1-methyl-1H-pyrrole-2,5-dione)
• CAS: 1441421-83-5
• 化学式: C₆₀H₅₄N₂O₆S₆
• 分子量: 1091.49
• InChiKey: OAIGRZSTKLRVAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.43
• 重原子数：
  74.0
• 可旋转键数：
  20.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  93.22
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  4,4'-(8,9-bis(octyloxy)naphtho[1,2-b:4,3-b']dithiophene-2,5-diyl)bis(3-(benzo[1,2-b:4,3-b']dithiophen-2-yl)-1-methyl-1H-pyrrole-2,5-dione) 在 碘 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以33%的产率得到
  参考文献：
  名称：

  A Fragment Based Approach toward Thia[n]helicenes

  摘要：

  The synthesis of [9]- and [11]thiahelicenes, as well as the preparation of lower homologues such as [5]-, [6]-, and [7]thiahelicenes Is reported. Efficient palladium catalyzed coupling reactions were employed. Triorganoindium derivatives were selectively mono-cross-coupled with N-methyl-3,4-dibromomaleimide followed by Stifle coupling with the readily available building block naphthodithiophene. Oxidative photocyclization of the conjugated precursors using visible light was employed to synthesize a series of thia[n]helicenes. This modular synthetic methodology is independent of the length of the helical backbone.

  DOI：

  10.1021/ol400825w
• 作为产物：
  描述：

  、 3-(benzo[1,2-b:4,3-b']dithiophen-2-yl)-4-bromo-1-methyl-1H-pyrrole-2,5-dione 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以62%的产率得到4,4'-(8,9-bis(octyloxy)naphtho[1,2-b:4,3-b']dithiophene-2,5-diyl)bis(3-(benzo[1,2-b:4,3-b']dithiophen-2-yl)-1-methyl-1H-pyrrole-2,5-dione)
  参考文献：
  名称：

  A Fragment Based Approach toward Thia[n]helicenes

  摘要：

  The synthesis of [9]- and [11]thiahelicenes, as well as the preparation of lower homologues such as [5]-, [6]-, and [7]thiahelicenes Is reported. Efficient palladium catalyzed coupling reactions were employed. Triorganoindium derivatives were selectively mono-cross-coupled with N-methyl-3,4-dibromomaleimide followed by Stifle coupling with the readily available building block naphthodithiophene. Oxidative photocyclization of the conjugated precursors using visible light was employed to synthesize a series of thia[n]helicenes. This modular synthetic methodology is independent of the length of the helical backbone.

  DOI：

  10.1021/ol400825w