1-(1H-perimidin-4-yl)ethanone | 56314-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-(1H-perimidin-4-yl)ethanone
• 英文别名: 4(9)-Acetyl-perimidin；4-acetylperimidine；1-(1(3)H-perimidin-4-yl)-ethanone
• CAS: 56314-42-2
• 化学式: C₁₃H₁₀N₂O
• 分子量: 210.235
• InChiKey: QMVJZVGSCWOBAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  41.46
• 氢给体数：
  1.0
• 氢受体数：
  3.0

文献信息

• Synthesis of 1,3-diazapyrenes by the reaction of 1 H-perimidines with 1,3-dicarbonyl compounds
  作者：A. V. Aksenov、I. V. Aksenova、A. S. Lyakhovnenko、D. A. Lobach

  DOI：10.1007/s11172-009-0108-1

  日期：2009.4

  A method for the synthesis of 1,3-diazapyrenes has been developed based on the reaction of 1H-perimidines with 1,3-dicarbonyl compounds in polyphosphoric or 70% aq. sulfuric acid.

  一种合成1,3-二氮杂吡喃的方法已被开发，该方法基于1H-佩哩啶与1,3-二羰基化合物在聚磷酸或70%浓硫酸水溶液中的反应。
• ——
  作者：I. V. Borovlev、O. P. Demidov、A. F. Pozharskii

  DOI：10.1023/a:1020977715188

  日期：——
• Synthesis of 2,3-dihydroperimidine ketones
  作者：I. V. Borovlev、O. P. Demidov

  DOI：10.1007/s10593-009-0325-4

  日期：2009.6

  Ketones derived from unsubstituted 2,3-dihydroperimidine were obtained by the selective reduction of the corresponding acylperimidines. The direct acylation of 2,3-dihydroperimidine in PPA is accompanied by dehydrogenation and leads to 4(9)-acylperimidines. The spectral characteristics of these products were discussed.
• ——
  作者：I. V. Borovlev、O. P. Demidov、A. F. Pozharskii

  DOI：10.1023/a:1016001321161

  日期：——

  The regioselectivity of the reactions of perimidine with cinnamic acids in polyphosphoric acid (PPA) depends on the P2O5 content. Procedures were developed for the synthesis of 4(9)- and 6(7)-cinnamoylperimidines. Cyclization of the latter under the action of an excess of AlBr3 was accompanied by dearylation to form 6-hydroxy-1,3-diazapyrene.
• BOROVLEV I. V.; POZHARSKIJ A. F., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 12, 1688-1691
  作者：BOROVLEV I. V.、 POZHARSKIJ A. F.

  DOI：——

  日期：——