| 1075255-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1075255-83-2
• 化学式: C₄₆H₄₉N₃OSi
• 分子量: 688.0
• InChiKey: QIXCQJPMGUVYTG-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.03
• 重原子数：
  51.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  60.68
• 氢给体数：
  3.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  在 甲醇 、 potassium carbonate 作用下， 反应 0.5h， 以91%的产率得到
  参考文献：
  名称：

  Biased Helical Folding of Chiral Oligoindole Foldamers

  摘要：

  Oligoindole-based chiral foldamers have been synthesized by incorporating (S)- or (R)-1-phenylethylamine to both ends of the tetraindole scaffold. The oligoindoles fold into a helical conformation upon binding an anion by hydrogen bonds, which gives rise to an induced circular dichroism (CD) signal of large amplitude, implying the preferential formation of one helical isomer over another. Theoretical calculations suggest that the (P)-helix of the (SS)-oligoindole 8a be more energetically stable than the corresponding (M)-helix.

  DOI：

  10.1021/ol8022243
• 作为产物：
  描述：

  C₄₁H₄₀IN₃O 、 三甲基乙炔基硅 在 copper(l) iodide 、 三乙胺 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以85%的产率得到
  参考文献：
  名称：

  Biased Helical Folding of Chiral Oligoindole Foldamers

  摘要：

  Oligoindole-based chiral foldamers have been synthesized by incorporating (S)- or (R)-1-phenylethylamine to both ends of the tetraindole scaffold. The oligoindoles fold into a helical conformation upon binding an anion by hydrogen bonds, which gives rise to an induced circular dichroism (CD) signal of large amplitude, implying the preferential formation of one helical isomer over another. Theoretical calculations suggest that the (P)-helix of the (SS)-oligoindole 8a be more energetically stable than the corresponding (M)-helix.

  DOI：

  10.1021/ol8022243