| 1032056-87-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1032056-87-3
• 化学式: C₉₀H₈₂Cl₈N₅O₂₇P
• 分子量: 1980.26
• InChiKey: KCJPBNOTYKSNFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.22
• 重原子数：
  131.0
• 可旋转键数：
  53.0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  375.36
• 氢给体数：
  1.0
• 氢受体数：
  28.0

反应信息

• 作为产物：
  描述：

  在 二氯乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以24 mg的产率得到
  参考文献：
  名称：

  Twisted Perylene Stereodimers Reveal Chiral Molecular Assembly Codes

  摘要：

  Unique perylene diastereomeric linear and cyclic climers were synthesized from twisted perylene monomers, revealing that pi-stacking stereoisomerism imparted specific intermolecular self-assembly and intramolecular folding. Only the homochiral twisted tetrachloroperylene monomers cyclized via a cooperative reaction, forming the homochiral diastereomers. The heterochiral tetrachloroperylene monomers proceeded through a stepwise reaction and yielded a linear heterochiral dimer, which equilibrated with the linear homochiral dimers. The linear homochiral dimers cyclized to produce the same cyclic homochiral diastereomers. These results demonstrated that homochiral and heterochiral self-assemblies were two distinct molecular codes, directing two specific chemical pathways. The homochiral cyclic dimers remain isomerically pure at -20 degrees C but can be interconverted to the heterochiral cyclic dimer meso compound at room temperature. The diastereomers were readily separated by HPLC. While driven by solvophobic forces, foldable linear climers synthesized from the same twisted monomers using phosphoramidite chemistry folded into homodimer and heterodimer, confirming the inherent molecular codes, which were dictated by the perylene chirality, ultimately gauged the weak T-stack forces, and directed self-assembly and folding.

  DOI：

  10.1021/ja7111959