(3-amino-4-methoxythieno[2,3-b]pyridin-2-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanone | 1097202-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (3-amino-4-methoxythieno[2,3-b]pyridin-2-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanone
• 英文别名: (3-Amino-4-methoxythieno[2,3-b]pyridin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
• CAS: 1097202-32-8
• 化学式: C₁₉H₁₉FN₄O₂S
• 分子量: 386.45
• InChiKey: MALYTNLDRAOAEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  99.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,1-dicyano-4-(N,N-dimethylamino)-2-methoxy-1,3-butadiene 在 氢溴酸 、 溶剂黄146 、 硫脲 、 potassium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.75h， 生成 (3-amino-4-methoxythieno[2,3-b]pyridin-2-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanone
  参考文献：
  名称：

  The Synthesis and Microbiological Activity of 2-Mercapto-4-methoxypyridine-3-carbonitrile Derivatives

  摘要：

  Synthesis of 2-(3-cyano-4-methoxypyridin-2-ylthio)acetic acid derivatives, starting either from 2-bromo-4-methoxypyridine-3-carbonitrile or 2-mercapto-4-methoxypyridine-3-carbonitrile is reported. The obtained products could be transformed by intramolecular Thorpe-Ziegler cyclization to related thieno[2,3-b]pyridines. Diazotization of 3-amino-N-(4-chlorophenyl)-4-methoxythieno[2,3-b]pyridine-2-carboxamide resulted in formation of a suitable pyridothienotriazine derivative. Some of the prepared compounds demonstrated noticeable bacteriostatic or tuberculostatic activity.

  DOI：

  10.3987/com-08-11439

文献信息

• The Synthesis and Microbiological Activity of 2-Mercapto-4-methoxypyridine-3-carbonitrile Derivatives
  作者：Agnieszka Miszke、Henryk Foks、Kamil Brożewicz、Anna Kędzia、Ewa Kwapisz、Zofia Zwolska

  DOI：10.3987/com-08-11439

  日期：——

  Synthesis of 2-(3-cyano-4-methoxypyridin-2-ylthio)acetic acid derivatives, starting either from 2-bromo-4-methoxypyridine-3-carbonitrile or 2-mercapto-4-methoxypyridine-3-carbonitrile is reported. The obtained products could be transformed by intramolecular Thorpe-Ziegler cyclization to related thieno[2,3-b]pyridines. Diazotization of 3-amino-N-(4-chlorophenyl)-4-methoxythieno[2,3-b]pyridine-2-carboxamide resulted in formation of a suitable pyridothienotriazine derivative. Some of the prepared compounds demonstrated noticeable bacteriostatic or tuberculostatic activity.