6,8-dioxo-1,6,7,8-tetrahydro-1,3,7-triazapyrene | 16783-38-3

• 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: 6,8-dioxo-1,6,7,8-tetrahydro-1,3,7-triazapyrene
• 英文别名: 1H-1,3,7-triazapyren-6,8-dione；Pyrido[3,4,5-gh]perimidine-6,8(1H,7H)-dione；5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,5,8(16),9,11(15)-hexaene-12,14-dione
• CAS: 16783-38-3
• 化学式: C₁₃H₇N₃O₂
• 分子量: 237.217
• InChiKey: CCDHDINTRZTUIJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.73±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-methoxy-6-oxo-6,7-dihydro-1,3,7-triazapyrene 在 硫酸 作用下， 反应 24.0h， 以98%的产率得到6,8-dioxo-1,6,7,8-tetrahydro-1,3,7-triazapyrene
  参考文献：
  名称：

  Synthesis and cleavage of 1,3,7-triazapyrene ethers

  摘要：

  Oxidative alkoxylation of 1,3,7-triazapyrenes in the system ROH-H2O-KOH-K3Fe(CN)(6) leads via a tandem S (N) (H)-S (N) (H) process to the formation of 6,8-dialkoxy-1,3,7-triazapyrenes. Hydrolytic cleavage of these ethers leads to products of single or double dealkylation, depending on the reaction conditions.

  DOI：

  10.1007/s10593-013-1168-6

文献信息

• Acid hydrolysis of amines and cleavage of 1,3,7-triazapyrene ethers
  作者：N. A. Saigakova、O. P. Demidov、I. V. Borovlev

  DOI：10.1134/s1070428013080174

  日期：2013.8

  Acid hydrolysis of 6-amino derivatives of 1,3,7-triazapyrene affords the corresponding 6-oxo-6,7-dihydro-1,3,7-triazapyrenes. In the case of 6,8-bis(dialkylamino)-1,3,7-triazapyrenes depending on their structure products of hydrolysis of one or two dialkylamino groups are obtained. 6-Alkoxy-8-dialkylamino-1,3,7-triazapyrenes were synthesized. Conditions were found providing a possibility to cleave

  1,3,7-三氮杂ap烯的6-氨基衍生物的酸水解得到相应的6-氧代-6,7-二氢-1,3,7-三氮杂py烯。在6,8-双（二​​烷基氨基）-1,3,7-三氮杂py烯的情况下，取决于它们水解一个或两个二烷基氨基的结构产物。合成6-烷氧基-8-二烷基氨基-1,3,7-三氮杂py烯。发现条件提供了在1,3,7-三氮杂ap烯结构中存在氨基的情况下裂解醚键并进行两个官能团的水解取代的可能性。
• Direct oxidative SNH amidation of 1,3,7-triazapyrene
  作者：Ivan V. Borovlev、Oleg P. Demidov、Nadezhda A. Kurnosova、Gulminat A. Amangasieva、Elena K. Avakyan

  DOI：10.1007/s10593-015-1677-6

  日期：2015.2

  6-Acylamino-1,3,7-triazapyrenes have been synthesized for the first time by direct oxidative nucleophilic substitution of hydrogen.
• Synthesis and cleavage of 1,3,7-triazapyrene ethers
  作者：O. P. Demidov、I. V. Borovlev、N. A. Saigakova、O. A. Nemykina、S. V. Pisarenko

  DOI：10.1007/s10593-013-1168-6

  日期：2013.1

  Oxidative alkoxylation of 1,3,7-triazapyrenes in the system ROH-H2O-KOH-K3Fe(CN)(6) leads via a tandem S (N) (H)-S (N) (H) process to the formation of 6,8-dialkoxy-1,3,7-triazapyrenes. Hydrolytic cleavage of these ethers leads to products of single or double dealkylation, depending on the reaction conditions.