9-Carbazol-9-ylmethyl-3-nitro-9H-carbazole | 136954-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-Carbazol-9-ylmethyl-3-nitro-9H-carbazole
• 英文别名: 9-(Carbazol-9-ylmethyl)-3-nitrocarbazole
• CAS: 136954-47-7
• 化学式: C₂₅H₁₇N₃O₂
• 分子量: 391.429
• InChiKey: PRJKXOJNZSOKQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  bis(carbazol-9-yl)methane 在 四硝基甲烷 作用下， 以 二氯甲烷 为溶剂， 生成 9-Carbazol-9-ylmethyl-3-nitro-9H-carbazole
  参考文献：
  名称：

  Gas-phase reactivities and interchromophoric effects in 1,n-dicarbazolylalkane cations and related species

  摘要：

  The behavior of gaseous cations derived from electron ionization (20 and 70 eV) and methane chemical ionization (CI) of 1,n-dicarbazolylalkanes 1a-5a (where n = 1-5 methylene units, respectively) and the corresponding 3-nitro derivatives 1b-5b was examined using mass spectrometry. An iminium ion (m/z 180) is the major fragment from all 1-5 examined with the exception of 4a, for which CI affords predominantly a pyrrolidinium ion (m/z 222) by displacement of carbazole. Compounds 1a and 1b exhibit little [M].+ and [M + H]+ and undergo the most extensive fragmentation. Ethylated iminium ion (m/z 208) is observed from both 1a and 1b under CI conditions, indicating operation of an interannular hydrogen shift. Compound 3a fragments least, consistent with an exceptional, although small, stabilization for the parent ions of this derivative.

  DOI：

  10.1021/jo00025a015