2-(4-Methoxyphenyl)-4-methyl-6,10-diphenyl-1,5,6,8,10,11,12-heptazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene | 920929-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2-(4-Methoxyphenyl)-4-methyl-6,10-diphenyl-1,5,6,8,10,11,12-heptazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene
• CAS: 920929-02-8
• 化学式: C₂₅H₂₁N₇O
• 分子量: 435.488
• InChiKey: CQBOKXANAISWSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氯-1-苯基-1H-四唑 在 三甲基氯硅烷 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 28.67h， 生成 2-(4-Methoxyphenyl)-4-methyl-6,10-diphenyl-1,5,6,8,10,11,12-heptazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene
  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

文献信息

• High Throughput Synthesis of Extended Pyrazolo[3,4-<i>d</i>]dihydropyrimidines
  作者：Sergey V. Ryabukhin、Dmitry S. Granat、Andrey S. Plaskon、Alexander N. Shivanyuk、Andrey A. Tolmachev、Yulian M. Volovenko

  DOI：10.1021/co300063x

  日期：2012.8.13

  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.