methyl-(2-methyl-8-nitro-pyrazolo[1,5-a][1,3,5]triazin-4-yl)-amine | 55457-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并三嗪类
• 英文名称: methyl-(2-methyl-8-nitro-pyrazolo[1,5-a][1,3,5]triazin-4-yl)-amine
• 英文别名: N,2-Dimethyl-8-nitropyrazolo[1,5-a]-1,3,5-triazin-4-amine；N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine
• CAS: 55457-64-2
• 化学式: C₇H₈N₆O₂
• 分子量: 208.18
• InChiKey: JHAJAIXUKCYFTL-UHFFFAOYSA-N

物化性质

• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-methyl-4-(N-methyl-N-phenylamino)pyrazolo[1,5-a]-1,3,5-triazin-4-one 在 硝酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.17h， 生成 methyl-(2-methyl-8-nitro-pyrazolo[1,5-a][1,3,5]triazin-4-yl)-amine
  参考文献：
  名称：

  A general approach toward the synthesis of 8-acylamidopyrazolo[1,5-a]-1,3,5-triazines

  摘要：

  An expedient synthesis of 8-acylamidopyrazolo[1,5-alpha]-1,3,5-triazines was developed by treating 8-amino-4-[N-(4aminophenyl)-N-(methyl)amino]pyrazolo[1,5-alpha]-1,3,5-triazine with various acyl chlorides following by the displacement of the so-formed N-(methyl)-N-[4-(acylamido)phenyl]amino leaving group with various amines. Applications to high-throughput synthesis are suggested. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02661-8

文献信息

• A general approach toward the synthesis of 8-acylamidopyrazolo[1,5-a]-1,3,5-triazines
  作者：Pierre Raboisson、Dominique Schultz、Claire Lugnier、Romain Mathieu、Jean-Jacques Bourguignon

  DOI：10.1016/s0040-4039(02)02661-8

  日期：2003.1

  An expedient synthesis of 8-acylamidopyrazolo[1,5-alpha]-1,3,5-triazines was developed by treating 8-amino-4-[N-(4aminophenyl)-N-(methyl)amino]pyrazolo[1,5-alpha]-1,3,5-triazine with various acyl chlorides following by the displacement of the so-formed N-(methyl)-N-[4-(acylamido)phenyl]amino leaving group with various amines. Applications to high-throughput synthesis are suggested. (C) 2003 Elsevier Science Ltd. All rights reserved.