1-(p-dimethylaminobenzylidene)-5-methyl-2,3-dihydrocyclopenta[c]quinolinium perchlorate | 1186207-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(p-dimethylaminobenzylidene)-5-methyl-2,3-dihydrocyclopenta[c]quinolinium perchlorate
• 英文别名: 1-(p-Dimethylaminobenzylidene)-5-methyl-2,3-di-hydrocyclopenta[c]quinolinium perchlorate；N,N-dimethyl-4-[(5-methyl-2,3-dihydrocyclopenta[c]quinolin-5-ium-1-ylidene)methyl]aniline;perchlorate
• CAS: 1186207-32-8
• 化学式: C₂₂H₂₃N₂*ClO₄
• 分子量: 414.889
• InChiKey: FHBSIOLUXNULJM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.54
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-methyl-2,3-dihydro-1H-cyclopenta[c]quinolinium perchlorate 、 对二甲氨基苯甲醛 在 乙酸酐 作用下， 反应 0.5h， 以79%的产率得到1-(p-dimethylaminobenzylidene)-5-methyl-2,3-dihydrocyclopenta[c]quinolinium perchlorate
  参考文献：
  名称：

  Synthesis and study of the structure of the reaction products formed from cyclopenta[c]quinolinium quarternary salts and p-dimethylaminobenzaldehyde

  摘要：

  The presence of active methylene group in the molecules of cyclopenta[c]quinolinium quarternary salts permitted to obtain products of their reaction with p-dimethylaminobenzaldehyde. Structures of the reaction products were established from H-1 and C-13 NMR spectral data using the correlation spectra. The effect of substituents at nitrogen on the visible absorption spectra was studied. The investigation of formation of the frontier orbitals in the reaction products by quantum chemical calculations revealed the reason of the coloration of the dyes synthesized.

  DOI：

  10.1134/s1070363209110206