2-(3-amino-2-methoxypyridin-4-yl)-2-(phenylthio)acetaldehyde dimethylacetal | 259684-48-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(3-amino-2-methoxypyridin-4-yl)-2-(phenylthio)acetaldehyde dimethylacetal
• 英文别名: 4-(2,2-Dimethoxy-1-phenylsulfanylethyl)-2-methoxypyridin-3-amine
• CAS: 259684-48-5
• 化学式: C₁₆H₂₀N₂O₃S
• 分子量: 320.412
• InChiKey: BAKUUAWMERFQMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  91.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(3-amino-2-methoxypyridin-4-yl)-2-(phenylthio)acetaldehyde dimethylacetal 在 盐酸 作用下， 以 氯仿 为溶剂， 反应 74.0h， 以60%的产率得到1,6-dihydro-3-(phenylthio)-7H-pyrrolo[2,3-c]pyridin-7-one hydrochloride
  参考文献：
  名称：

  Certain 3,9-Dideazapurines as Inhibitors of Purine Nucleoside Phosphorylase

  摘要：

  The synthesis of four 3,9-dideazapurines is described. In order to achieve the desired substitution pattern, a new approach to the pyrrolo[2,3-c]pyridine ring system was devised utilizing the Gassman reaction as the key step for its construction. The four target heterocycles were all evaluated for their ability to inhibit human erythrocytic purine nucleoside phosphorylase.

  DOI：

  10.1080/07328319908044619
• 作为产物：
  描述：

  2-甲氧基-3-氨基吡啶 在 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 2-(3-amino-2-methoxypyridin-4-yl)-2-(phenylthio)acetaldehyde dimethylacetal
  参考文献：
  名称：

  Certain 3,9-Dideazapurines as Inhibitors of Purine Nucleoside Phosphorylase

  摘要：

  The synthesis of four 3,9-dideazapurines is described. In order to achieve the desired substitution pattern, a new approach to the pyrrolo[2,3-c]pyridine ring system was devised utilizing the Gassman reaction as the key step for its construction. The four target heterocycles were all evaluated for their ability to inhibit human erythrocytic purine nucleoside phosphorylase.

  DOI：

  10.1080/07328319908044619

文献信息

• Certain 3,9-Dideazapurines as Inhibitors of Purine Nucleoside Phosphorylase
  作者：Jerry D. Rose、John A. Secrist、John A. Montgomery

  DOI：10.1080/07328319908044619

  日期：1999.11

  The synthesis of four 3,9-dideazapurines is described. In order to achieve the desired substitution pattern, a new approach to the pyrrolo[2,3-c]pyridine ring system was devised utilizing the Gassman reaction as the key step for its construction. The four target heterocycles were all evaluated for their ability to inhibit human erythrocytic purine nucleoside phosphorylase.