4,4',4'',4'''-((5s,10s,15s,20s)-5,10,15,20-tetramethyl-5H,10H,15H,20H,22H,24H-porphyrin-5,10,15,20-tetrayl)tetraaniline | 1180667-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 4,4',4'',4'''-((5s,10s,15s,20s)-5,10,15,20-tetramethyl-5H,10H,15H,20H,22H,24H-porphyrin-5,10,15,20-tetrayl)tetraaniline
• CAS: 1180667-76-8
• 化学式: C₄₈H₄₈N₈
• 分子量: 736.963
• InChiKey: WQMBWJJFLXKOOR-JRRJZXJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.06
• 重原子数：
  56.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  167.24
• 氢给体数：
  8.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4,4',4'',4'''-((5s,10s,15s,20s)-5,10,15,20-tetramethyl-5H,10H,15H,20H,22H,24H-porphyrin-5,10,15,20-tetrayl)tetraaniline 、 (R)-(+)-1-(4-溴苯基)乙基 异氰酸酯 以65%的产率得到
  参考文献：
  名称：

  Efficient Self-Sorting of a Racemic Tetra-Urea Calix[4]Pyrrole into a Single Heterodimeric Capsule

  摘要：

  A racemic calix[4]pyrrole self-sorts into a single achiral heterodimeric capsule. This process is induced either by encapsulation of one ditopic or two monotopic N-oxide guests. The influence of the guest structure in the dynamics of the disproportionation process of the two homochiral capsules is reported. The unidirectional sense of rotation of the urea groups assigned to the heterodimeric capsule is explained as the outcome of an induction of chirality from the stereogenic centers.

  DOI：

  10.1021/ol100341q