4-tert-butyl-2-(4-morpholino)-5-[5-formyl-2-(4-morpholino)-4-thiazolyl]-thiazole | 209050-02-2

• 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-tert-butyl-2-(4-morpholino)-5-[5-formyl-2-(4-morpholino)-4-thiazolyl]-thiazole
• CAS: 209050-02-2
• 化学式: C₁₉H₂₆N₄O₃S₂
• 分子量: 422.572
• InChiKey: XFTBYVGIMFIOAP-UHFFFAOYSA-N

物化性质

• 沸点：
  632.3±65.0 °C(predicted)
• 密度：
  1.299±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  67.79
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  丙二腈 、 4-tert-butyl-2-(4-morpholino)-5-[5-formyl-2-(4-morpholino)-4-thiazolyl]-thiazole 在 三乙胺 作用下， 以 乙酸酐 为溶剂， 反应 1.0h， 以67%的产率得到4-tert-butyl-2-(4-morpholino)-5-[2-(4-morpholino)-5-(2,2-dicyanovinyl-4-thiazolyl)]-thiazole
  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：

  4-(N-pivaloylthiocarbamoyl)morpholine 在 溴 、 三乙胺 、 三氯氧磷 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 7.75h， 生成 4-tert-butyl-2-(4-morpholino)-5-[5-formyl-2-(4-morpholino)-4-thiazolyl]-thiazole
  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