N-tert-butyl-4-(4-chlorophenyl)-12-methyl-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine | 1448550-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-tert-butyl-4-(4-chlorophenyl)-12-methyl-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
• CAS: 1448550-27-3
• 化学式: C₂₄H₂₃ClN₆
• 分子量: 430.94
• InChiKey: GTVUZMYWMAXWON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  tert-butyl isocyanide 、 1-phenyl-3-methyl-4-aminopyrazolo<3,4-d>pyrimidine 、 4-氯苯甲醛 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 0.5h， 以62%的产率得到N-tert-butyl-4-(4-chlorophenyl)-12-methyl-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
  参考文献：
  名称：

  Sc(OTf)3 promoted multicomponent synthesis of fluorescent imidazo[1,2-c]pyrazolo[3,4-d]pyrimidine

  摘要：

  A three-component condensation reaction between aminopyrazolo[3,4-d]pyrimidine, an aldehyde, and an isocyanide catalyzed by scandium triflate yields a series of heterocyclic derivatives of imidazo[1,2c]pyrazolo[3,4-d]pyrimidine in good yields, exhibiting interesting fluorescent properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.136

文献信息

• Sc(OTf)3 promoted multicomponent synthesis of fluorescent imidazo[1,2-c]pyrazolo[3,4-d]pyrimidine
  作者：Asma Agrebi、Fatma Allouche、Fakher Chabchoub、Laurent El-Kaim、Sérgio Alves、Carlos Baleizão、José Paulo Farinha

  DOI：10.1016/j.tetlet.2013.06.136

  日期：2013.8

  A three-component condensation reaction between aminopyrazolo[3,4-d]pyrimidine, an aldehyde, and an isocyanide catalyzed by scandium triflate yields a series of heterocyclic derivatives of imidazo[1,2c]pyrazolo[3,4-d]pyrimidine in good yields, exhibiting interesting fluorescent properties. (C) 2013 Elsevier Ltd. All rights reserved.