N-(5-dichloromethyl-6-oxo-5,6-dihydroimidazo[2,1-b]thiazol-5-yl)(4-methylbenzamide) | 898509-58-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(5-dichloromethyl-6-oxo-5,6-dihydroimidazo[2,1-b]thiazol-5-yl)(4-methylbenzamide)
• 英文别名: N-[5-(dichloromethyl)-6-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide；N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide
• CAS: 898509-58-5
• 化学式: C₁₄H₁₁Cl₂N₃O₂S
• 分子量: 356.232
• InChiKey: QBQMGWUJNUCXIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 N-(5-dichloromethyl-6-oxo-5,6-dihydroimidazo[2,1-b]thiazol-5-yl)(4-methylbenzamide) 在 吡啶 作用下， 反应 4.0h， 以41%的产率得到2-(4-methylphenyl)-5-(morpholin-4-yl)-N-(1,3-thiazol-2-yl)-1,3-oxazol-4-carboxamide
  参考文献：
  名称：

  Successive reaction of 2-aryl-4-dichloromethylideneoxazol-54H-ones with 2-amino-1,3-thiazoles and strongly basic nitrogen-containing reagents

  摘要：

  Treatment of 2-aryl-4-dichloromethylideneoxazole-5(4H)-ones first with 2-aminothiazoles and then with benzylamine, piperidine, or morpholine gave the corresponding 5-amino-4-(1,3-thiazol-2-ylcarbamoyl)-1,3-oxazole derivatives whose structure was confirmed by a combination of spectral data and X-ray analysis.

  DOI：

  10.1134/s1070363208040221
• 作为产物：
  描述：

  2-氨基噻唑 、 4-dichloromethylene-p-tolyl-1,3-oxazol-5(4H)-one 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 以71%的产率得到N-(5-dichloromethyl-6-oxo-5,6-dihydroimidazo[2,1-b]thiazol-5-yl)(4-methylbenzamide)
  参考文献：
  名称：

  Successive reaction of 2-aryl-4-dichloromethylideneoxazol-54H-ones with 2-amino-1,3-thiazoles and strongly basic nitrogen-containing reagents

  摘要：

  Treatment of 2-aryl-4-dichloromethylideneoxazole-5(4H)-ones first with 2-aminothiazoles and then with benzylamine, piperidine, or morpholine gave the corresponding 5-amino-4-(1,3-thiazol-2-ylcarbamoyl)-1,3-oxazole derivatives whose structure was confirmed by a combination of spectral data and X-ray analysis.

  DOI：

  10.1134/s1070363208040221

文献信息

• Successive reaction of 2-aryl-4-dichloromethylideneoxazol-54H-ones with 2-amino-1,3-thiazoles and strongly basic nitrogen-containing reagents
  作者：V. M. Prokopenko、V. N. Sviripa、V. S. Brovarets、E. B. Rusanov、B. S. Drach

  DOI：10.1134/s1070363208040221

  日期：2008.4

  Treatment of 2-aryl-4-dichloromethylideneoxazole-5(4H)-ones first with 2-aminothiazoles and then with benzylamine, piperidine, or morpholine gave the corresponding 5-amino-4-(1,3-thiazol-2-ylcarbamoyl)-1,3-oxazole derivatives whose structure was confirmed by a combination of spectral data and X-ray analysis.