12-chloro-4-methyl-6-phenylspiro[1,5,6,8,13-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-2,3'-1H-indole]-2'-one | 941045-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 12-chloro-4-methyl-6-phenylspiro[1,5,6,8,13-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-2,3'-1H-indole]-2'-one
• CAS: 941045-48-3
• 化学式: C₂₂H₁₅ClN₆O
• 分子量: 414.854
• InChiKey: FEVISFOSRDQQGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  靛红 、 6-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-3-amine 在 三甲基氯硅烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以82%的产率得到12-chloro-4-methyl-6-phenylspiro[1,5,6,8,13-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-2,3'-1H-indole]-2'-one
  参考文献：
  名称：

  High Throughput Synthesis of Extended Pyrazolo[3,4-d]dihydropyrimidines

  摘要：

  Thirteen 5-hetarylaminopyrazoles were synthesized in 62-93% yield through the arylation of 1-isopropyl- and 1-phenyl-5-aminopyrazoles with electrophilic hetarylhalides under optimized conditions. Condensation of 5-hetarylaminopyrazoles with carbonyl compounds facilitated by AcOH or Me3SiCl furnished 23 pyrazolo[3,4-d]dihydropyrimidines in 69-86% yield. The target compounds were isolated through simple crystallization. The scope and limitation of the method are discussed.

  DOI：

  10.1021/co300063x