Acetic acid 2-acetoxymethyl-4-(5,6-dichloro-imidazo[4,5-b]pyridin-3-yl)-butyl ester | 189102-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: Acetic acid 2-acetoxymethyl-4-(5,6-dichloro-imidazo[4,5-b]pyridin-3-yl)-butyl ester
• 英文别名: [2-(Acetoxymethyl)-4-(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)butyl] acetate；[2-(acetyloxymethyl)-4-(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)butyl] acetate
• CAS: 189102-98-5
• 化学式: C₁₅H₁₇Cl₂N₃O₄
• 分子量: 374.224
• InChiKey: UJNLIVFMTXGCOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Acetic acid 2-acetoxymethyl-4-(5,6-dichloro-imidazo[4,5-b]pyridin-3-yl)-butyl ester 在 氨 作用下， 以 甲醇 为溶剂， 以35%的产率得到2-[2-(5,6-Dichloro-imidazo[4,5-b]pyridin-3-yl)-ethyl]-propane-1,3-diol
  参考文献：
  名称：

  3-[(3′-Hydroxymethyl)-4′-hydroxybutyl]imidazo[4,5-b]pyridines—novel antiviral agents

  摘要：

  Derivatives of 3- and 1-(4'-hydroxy-3'-(hydroxymethyl)butyl)-imidazo[4,5-b]pyridine were prepared in several steps from 2-amino-5-chloropyridine. Selected compounds were evaluated against human cytomeglovirus (HCMV), herpes simplex virusus (HSV1/HSV2) and varicella tester virus (VZV). Details of their synthesis and biological activities are presented. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00082-6
• 作为产物：
  描述：

  5,6-二氯吡啶-2,3-二胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Acetic acid 2-acetoxymethyl-4-(5,6-dichloro-imidazo[4,5-b]pyridin-3-yl)-butyl ester
  参考文献：
  名称：

  3-[(3′-Hydroxymethyl)-4′-hydroxybutyl]imidazo[4,5-b]pyridines—novel antiviral agents

  摘要：

  Derivatives of 3- and 1-(4'-hydroxy-3'-(hydroxymethyl)butyl)-imidazo[4,5-b]pyridine were prepared in several steps from 2-amino-5-chloropyridine. Selected compounds were evaluated against human cytomeglovirus (HCMV), herpes simplex virusus (HSV1/HSV2) and varicella tester virus (VZV). Details of their synthesis and biological activities are presented. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00082-6