4,6-bis(methoxycarbonyl)-1-phenylpyrazolo[3,4-d]pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,6-bis(methoxycarbonyl)-1-phenylpyrazolo[3,4-d]pyrimidine
• 英文别名: Dimethyl 1-phenylpyrazolo[3,4-d]pyrimidine-4,6-dicarboxylate
• 化学式: C₁₅H₁₂N₄O₄
• 分子量: 312.285
• InChiKey: VIEPXHVHOGVAQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  96.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,4,6-tris(methoxycarbonyl)-1,3,5-triazine 、 sodium 5-amino-1-phenyl-4-pyrazolecarboxylate 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以87%的产率得到4,6-bis(methoxycarbonyl)-1-phenylpyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  A tandem decarboxylation/Diels–Alder reaction of 5-amino-1-phenyl-4-pyrazolecarboxylic acid with 1,3,5-triazines

  摘要：

  A tandem decarboxylation/Diels-Alder reaction of 5-amino-1-phenyl-4-pyrazolecarboxylic acid with various 1,3,5-triazines was reported. The dienophile, 5-amino-1-phenylpyrazole, was generated in situ via decarboxylation and immediately trapped by 1,3,5-triazines leading to 4,6-disubstituted 1-phenylpyrazolo[3,4-d]pyrimidines in one step. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01822-6

文献信息

• A tandem decarboxylation/Diels–Alder reaction of 5-amino-1-phenyl-4-pyrazolecarboxylic acid with 1,3,5-triazines
  作者：Qun Dang、Yan Liu、Zhili Sun

  DOI：10.1016/s0040-4039(01)01822-6

  日期：2001.11

  A tandem decarboxylation/Diels-Alder reaction of 5-amino-1-phenyl-4-pyrazolecarboxylic acid with various 1,3,5-triazines was reported. The dienophile, 5-amino-1-phenylpyrazole, was generated in situ via decarboxylation and immediately trapped by 1,3,5-triazines leading to 4,6-disubstituted 1-phenylpyrazolo[3,4-d]pyrimidines in one step. (C) 2001 Elsevier Science Ltd. All rights reserved.