| 1352784-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1352784-85-0
• 化学式: C₄₂H₆₆O₂S₂Sn
• 分子量: 785.827
• InChiKey: GZCREBWRLLVLBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  47.0
• 可旋转键数：
  26.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 四(三苯基膦)钯 、 碘 作用下， 以 甲苯 为溶剂， 反应 13.0h， 生成 C₄₃H₄₅NO₄S₃
  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：

  8,9-bis(octyloxy)naphtho[1,2-b:4,3-b']dithiophene 、 三丁基氯化锡 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成
  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