6-methyl-2-phenyl-8-(2-chloroethyl)pyrazolo<5',1':2,3>pyrimido<5,4-d><1,2>diazepine | 147196-54-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-methyl-2-phenyl-8-(2-chloroethyl)pyrazolo<5',1':2,3>pyrimido<5,4-d><1,2>diazepine
• 英文别名: 12-(2-Chloroethyl)-10-methyl-4-phenyl-2,3,7,11,12-pentazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7,10,13-hexaene
• CAS: 147196-54-1
• 化学式: C₁₈H₁₆ClN₅
• 分子量: 337.812
• InChiKey: DVSJUBLIRFDVGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  吗啉 、 6-methyl-2-phenyl-8-(2-chloroethyl)pyrazolo<5',1':2,3>pyrimido<5,4-d><1,2>diazepine 在 potassium carbonate 、 potassium iodide 作用下， 以 various solvent(s) 为溶剂， 反应 72.0h， 以23%的产率得到N-<2-<6-methyl-2-phenylpyrazolo<5',1':2,3>pyrimido<5,4-d><1,2>diazepin-8-yl>ethylen>morpholine
  参考文献：
  名称：

  8H-Pyrazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepine: A New Tricyclic System

  摘要：

  Starting from a series of 6-acetyl-7-(2-dimethylaminovinyl)pyrazolo[1,5-a]pyrimidines (2a-g), several derivatives of the pyrazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepine system (3a-g) were obtained by reaction with hydrazine hydrate. Some compounds were finally alkylated at N -8 position.

  DOI：

  10.3987/com-92-6166
• 作为产物：
  描述：

  6-acetyl-7-(2-dimethylaminovinyl)-2-phenylpyrazolo<1,5-a>pyrimidine 在 potassium carbonate 、 一水合肼 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 6-methyl-2-phenyl-8-(2-chloroethyl)pyrazolo<5',1':2,3>pyrimido<5,4-d><1,2>diazepine
  参考文献：
  名称：

  8H-Pyrazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepine: A New Tricyclic System

  摘要：

  Starting from a series of 6-acetyl-7-(2-dimethylaminovinyl)pyrazolo[1,5-a]pyrimidines (2a-g), several derivatives of the pyrazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepine system (3a-g) were obtained by reaction with hydrazine hydrate. Some compounds were finally alkylated at N -8 position.

  DOI：

  10.3987/com-92-6166

文献信息

• 8H-Pyrazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepine: A New Tricyclic System
  作者：Fabrizio Bruni、Barbara Cosimelli、Annarella Costanzo、Gabriella Guerrini、Silvia Selleri

  DOI：10.3987/com-92-6166

  日期：——

  Starting from a series of 6-acetyl-7-(2-dimethylaminovinyl)pyrazolo[1,5-a]pyrimidines (2a-g), several derivatives of the pyrazolo[5',1':2,3]pyrimido[5,4-d][1,2]diazepine system (3a-g) were obtained by reaction with hydrazine hydrate. Some compounds were finally alkylated at N -8 position.