4'-Phenyl-2,2'-di-piperidin-1-yl-[4,5']bithiazolyl-5-carbaldehyde | 209050-04-4

• 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'-Phenyl-2,2'-di-piperidin-1-yl-[4,5']bithiazolyl-5-carbaldehyde
• CAS: 209050-04-4
• 化学式: C₂₃H₂₆N₄OS₂
• 分子量: 438.618
• InChiKey: PITSGAAVKIMCOW-UHFFFAOYSA-N

物化性质

• 沸点：
  622.7±65.0 °C(predicted)
• 密度：
  1.283±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  49.33
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  丙二腈 、 4'-Phenyl-2,2'-di-piperidin-1-yl-[4,5']bithiazolyl-5-carbaldehyde 在 三乙胺 作用下， 以 乙酸酐 为溶剂， 反应 1.0h， 以63%的产率得到
  参考文献：
  名称：

  Preparation and properties of 2-Dialkylamino-5-haloacetyl-thiazoles and 4-(2-Dialkylamino-5-thiazolyl)-thiazoles

  摘要：

  By the reaction of N-acylthioureas 7 with 1,3-dichloroacetone 9 2-dialkylamino-5-chloroacetyl-thiazoles 11 are avialable. These compounds react with thioureas or aryl thioamides under heterocyclisation to give bis-(2-dialkylamino-5-thiazolyl)-ketones 13, 2-aryl-4-(2-dialkylamino-5-thiazolyl)thiazoles 14, or 2-dialkylamino-4-(2-dialkylamino-5-thiazolyl)-thiazoles 15, resp., from which the last-mentioned compound exhibit a high reactivity towards several electrophilic reagents. Thus, deeply colored cyanovinyl, arylazo, and arylmethine substituted bisthiazole dyes 17, 18, and 19, resp., have been formed.

  DOI：

  10.1002/prac.19983400413
• 作为产物：
  描述：

  2-Chloro-1-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 4'-Phenyl-2,2'-di-piperidin-1-yl-[4,5']bithiazolyl-5-carbaldehyde
  参考文献：
  名称：

  Preparation and properties of 2-Dialkylamino-5-haloacetyl-thiazoles and 4-(2-Dialkylamino-5-thiazolyl)-thiazoles

  摘要：

  By the reaction of N-acylthioureas 7 with 1,3-dichloroacetone 9 2-dialkylamino-5-chloroacetyl-thiazoles 11 are avialable. These compounds react with thioureas or aryl thioamides under heterocyclisation to give bis-(2-dialkylamino-5-thiazolyl)-ketones 13, 2-aryl-4-(2-dialkylamino-5-thiazolyl)thiazoles 14, or 2-dialkylamino-4-(2-dialkylamino-5-thiazolyl)-thiazoles 15, resp., from which the last-mentioned compound exhibit a high reactivity towards several electrophilic reagents. Thus, deeply colored cyanovinyl, arylazo, and arylmethine substituted bisthiazole dyes 17, 18, and 19, resp., have been formed.

  DOI：

  10.1002/prac.19983400413