1-(6-methyl-1,3-diazapyren-7-yl)ethanone | 1020166-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类 - 二氮杂萘
• 英文名称: 1-(6-methyl-1,3-diazapyren-7-yl)ethanone
• 英文别名: 6-methyl-7-acetyl-1,3-diazapyrene；7-acetyl-6-methyl-1,3-diazapyrene；7-Acetyl-6-methyl-1,3-diazapyrene；1-(12-methyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaen-13-yl)ethanone
• CAS: 1020166-26-0
• 化学式: C₁₇H₁₂N₂O
• 分子量: 260.295
• InChiKey: UWXNFKUTRBOGHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3,5-三嗪 、 乙酰丙酮 、 1,8-二氨基萘 在 PPA 作用下， 反应 9.0h， 以64%的产率得到1-(6-methyl-1,3-diazapyren-7-yl)ethanone
  参考文献：
  名称：

  新颖三组分围碳环和吡啶环与1,3- diazapyrenes和1,3,7- triazapyrenes perimidines合成-annelation反应

  摘要：

  基于环二嘧啶或1,8-二氨基萘与1,3,5-三嗪和羰基化合物或苄腈的三组分反应，提出了一种有效的1,3-二氮杂戊烯和1,3,7-三氮杂戊烯的合成新方法。多磷酸（PPA）。

  DOI：

  10.1016/j.tetlet.2008.01.064

文献信息

• Novel three-component reaction of perimidines with 1,3,5-triazines and carbonyl compounds in polyphosphoric acid. an efficient method for peri-annelation of a carbocyclic and pyridine ring
  作者：A. V. Aksenov、N. A. Aksenov、A. S. Lyakhovnenko、A. B. Kumshaeva、I. V. Aksenova

  DOI：10.1007/s10593-012-1037-8

  日期：2012.7

  Methods have been developed for the synthesis of 1,3-diazapyrenes, 8(6)-aryl-6(8)-oxo-1,6,7,8-tetra-hydro-1,3-diazapyrenes, and 1,3,7-triazapyrenes based on a three-component reaction of perimidines with 1,3,5-triazines and carbonyl compounds, benzonitrile, or vinyl butyl ether in polyphosphoric acid.

  已经开发出用于合成1,3-二氮杂戊烯，8（6）-芳基-6（8）-氧代-1,6,7,8-四氢-1,3-二氮杂戊烯和1,3的方法，7-三氮杂py烯基于多im啶与1,3,5-三嗪和羰基化合物，苄腈或乙烯基丁基醚在多磷酸中的三组分反应。
• Synthesis of 1,3-diazapyrenes and 1,3,7-triazapyrenes by the reaction of 1,8-naphthalenediamine with triazine in the presence of carbonyl compounds or benzonitrile in polyphosphoric acid
  作者：A. V. Aksenov、I. V. Aksenova、A. S. Lyakhovnenko、N. A. Aksenov

  DOI：10.1007/s10593-009-0192-z

  日期：2008.11

  A novel three-component synthesis has been developed for 1,3-diazapyrenes based on the reaction of 1,8-naphthalenediamine with triazine and carbonyl compounds in polyphosphoric acid (PPA). The use of benzonitrile in place of the carbonyl compounds in this reaction gives 6-phenyl-1,3,7-triazapyrenes.
• Unexpected result in the reaction of 1,8-naphthalenediamine with triazine and carbonyl compounds in polyphosphoric acid
  作者：A. V. Aksenov、A. S. Lyakhovnenko、I. V. Aksenova、N. A. Aksenov

  DOI：10.1007/s10593-009-0180-3

  日期：2008.10
• Novel three-component peri-annelation reactions of carbocyclic and pyridine rings with perimidines—synthesis of 1,3-diazapyrenes and 1,3,7-triazapyrenes
  作者：Alexander V. Aksenov、Alexander S. Lyahovnenko、Inna V. Aksenova、Oleg N. Nadein

  DOI：10.1016/j.tetlet.2008.01.064

  日期：2008.3

  A new effective synthetic method for 1,3-diazapyrenes and 1,3,7-triazapyrenes is developed based on the three-component reaction of perimidines or 1,8-diaminonaphthalene with 1,3,5-triazines and carbonyl compounds or benzonitrile in polyphosphoric acid (PPA).

  基于环二嘧啶或1,8-二氨基萘与1,3,5-三嗪和羰基化合物或苄腈的三组分反应，提出了一种有效的1,3-二氮杂戊烯和1,3,7-三氮杂戊烯的合成新方法。多磷酸（PPA）。