9-N-hexylamino-1-oxo-phenalene | 102353-97-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 非那烯类
• 英文名称: 9-N-hexylamino-1-oxo-phenalene
• 英文别名: 9-n-Hexylamino-1-oxophenalene；9-(Hexylamino)phenalen-1-one
• CAS: 102353-97-9
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: UIDBAVIYVXLLBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9-N-hexylamino-1-oxo-phenalene 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  The First Phenalenyl-Based Neutral Radical Molecular Conductor

  摘要：

  We report the preparation, crystallization, and solid-state characterization of a spiro-biphenalenyl radical. The crystal structure shows that the radical is monomeric in the solid state and without intermolecular contacts that fall within the van der waals atomic separation. Magnetic susceptibility measurements show Curie behavior (1 spin per molecule) throughout the temperature range 10-400 K, confirming the presence of noninteracting spins in the solid. The compound shows a room-temperature conductivity of sigma = 0.05 S/cm, the highest yet for a neutral radical conductor. We suggest that the ground state of the radical corresponds to a degenerate Mott-Hubbard insulator. We postulate the presence of delocalized energy bands that are responsible for the transport properties but that are separated from the insulating ground state by an energy gap corresponding to the on-site Coulombic correlation energy. Given the presence of isolated molecules in the crystal lattice, the magnitude of the conductivity, the finding of band transport, and the width of the conduction band (0.5 eV) are unprecedented.

  DOI：

  10.1021/ja992040c
• 作为产物：
  描述：

  正己胺 、 9-羟基-萘嵌苯-1-酮 以85%的产率得到9-N-hexylamino-1-oxo-phenalene
  参考文献：
  名称：

  Direct Amination of 9-Hydroxy-1-oxophenalene to Produce 9-Amino-1-oxophenalene and Related Compounds

  摘要：

  DOI：

  10.1055/s-1985-34145

文献信息

• HADDON, R. C.;CHICHESTER, S. V.;MAYO, S. L., SYNTHESIS, BRD, 1985, N 6-7, 639-641
  作者：HADDON, R. C.、CHICHESTER, S. V.、MAYO, S. L.

  DOI：——

  日期：——