2-Amino-6-(4-chlorophenyl)-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one | 1253375-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-Amino-6-(4-chlorophenyl)-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
• 英文别名: 2-amino-6-(4-chlorophenyl)-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
• CAS: 1253375-39-1
• 化学式: C₂₀H₁₉ClN₄O₃
• 分子量: 398.849
• InChiKey: PWFLXRLSXRGIRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  121
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 2,4-二氨基-6-羟基嘧啶 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 2-Amino-6-(4-chlorophenyl)-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Generation of pyrrolo[2,3-d]pyrimidines. Unexpected products in the multicomponent reaction of 6-aminopyrimidines, dimedone, and arylglyoxal

  摘要：

  A series of 6-aryl-5-(1-cyclohexen-1-yl)pyrrolo[2,3-d]pyrimidines 9a-q were obtained by the three-component reaction between 6-aminopyrimidines 6, 7, 8, dimedone 2, and arylglyoxal 5a,b. The unexpected cyclization process was established by NMR and X-ray diffraction measurements. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.021

文献信息

• Generation of pyrrolo[2,3-d]pyrimidines. Unexpected products in the multicomponent reaction of 6-aminopyrimidines, dimedone, and arylglyoxal
  作者：Jairo Quiroga、Paola A. Acosta、Silvia Cruz、Rodrigo Abonía、Braulio Insuasty、Manuel Nogueras、Justo Cobo

  DOI：10.1016/j.tetlet.2010.08.021

  日期：2010.10

  A series of 6-aryl-5-(1-cyclohexen-1-yl)pyrrolo[2,3-d]pyrimidines 9a-q were obtained by the three-component reaction between 6-aminopyrimidines 6, 7, 8, dimedone 2, and arylglyoxal 5a,b. The unexpected cyclization process was established by NMR and X-ray diffraction measurements. (C) 2010 Elsevier Ltd. All rights reserved.