2-amino-4-phenyl-9H-pyrimido[4,5-b]indole | 56807-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole
• 英文别名: 4-phenyl-9H-pyrimido[4,5-b]indol-2-ylamine；2-Amino-4-phenyl-pyrimido<4,5-b>indol；1H-Pyrimido[4,5-b]indol-2-amine, 4-phenyl-；4-phenyl-9H-pyrimido[4,5-b]indol-2-amine
• CAS: 56807-24-0
• 化学式: C₁₆H₁₂N₄
• 分子量: 260.298
• InChiKey: LLZVGCZCFWZSIX-UHFFFAOYSA-N

物化性质

• 沸点：
  596.7±42.0 °C(Predicted)
• 密度：
  1.369±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino-4-phenyl-9H-pyrimido[4,5-b]indole 在 溶剂黄146 、 N,N-二甲基甲酰胺 、 sodium nitrite 、 三氯氧磷 作用下， 反应 8.0h， 生成 2-chloro-4-phenyl-9H-pyrimido[4,5-b]indole
  参考文献：
  名称：

  摘要：

  A method was developed for the synthesis of 2-oxo-4-phenyl-2,3-dihydro-9H-pyrimido[4,5-b]indole as well as of 2-chloro- and 2-nitramino-4-phenylpyrimido[4,5-b]indoles. The replacement of the chlorine atom in 2-chloropyrimidoindole gave rise to a number of its functional derivatives (morpholino, azido, and cyano). The reaction of 2-chloro-substituted pyrimidoindole with hydrazine hydrate and catalytic hydrogenation of 2-nitraminopyrimidoindole were studied.

  DOI：

  10.1023/a:1021688616234
• 作为产物：
  描述：

  2-oxo-4-phenylpyrimido<4,5-b>indole 在 一水合肼 、 N,N-二甲基甲酰胺 、 三氯氧磷 作用下， 以 二甲基亚砜 为溶剂， 反应 23.0h， 生成 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole
  参考文献：
  名称：

  摘要：

  A method was developed for the synthesis of 2-oxo-4-phenyl-2,3-dihydro-9H-pyrimido[4,5-b]indole as well as of 2-chloro- and 2-nitramino-4-phenylpyrimido[4,5-b]indoles. The replacement of the chlorine atom in 2-chloropyrimidoindole gave rise to a number of its functional derivatives (morpholino, azido, and cyano). The reaction of 2-chloro-substituted pyrimidoindole with hydrazine hydrate and catalytic hydrogenation of 2-nitraminopyrimidoindole were studied.

  DOI：

  10.1023/a:1021688616234

文献信息

• ——
  作者：V. P. Borovik、O. P. Shkurko

  DOI：10.1023/a:1021688616234

  日期：——

  A method was developed for the synthesis of 2-oxo-4-phenyl-2,3-dihydro-9H-pyrimido[4,5-b]indole as well as of 2-chloro- and 2-nitramino-4-phenylpyrimido[4,5-b]indoles. The replacement of the chlorine atom in 2-chloropyrimidoindole gave rise to a number of its functional derivatives (morpholino, azido, and cyano). The reaction of 2-chloro-substituted pyrimidoindole with hydrazine hydrate and catalytic hydrogenation of 2-nitraminopyrimidoindole were studied.