6-(5-methylisoxazol-3-yl)amino-6H-trifluoromethyl-2,3-dihydro-6-imidazo[2,1-b]thiazol-5-one | 696629-24-0

• 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: 6-(5-methylisoxazol-3-yl)amino-6H-trifluoromethyl-2,3-dihydro-6-imidazo[2,1-b]thiazol-5-one
• 英文别名: 6-[(5-methyl-1,2-oxazol-3-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one；6-[(5-methyl-1,2-oxazol-3-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
• CAS: 696629-24-0
• 化学式: C₁₀H₉F₃N₄O₂S
• 分子量: 306.268
• InChiKey: YYZIJSJBNYKSDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-氨基-2-噻唑啉 、 methyl 2-(5-methylisoxazol-3-yl)imino-3,3,3-trifluoropropionate 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以76%的产率得到6-(5-methylisoxazol-3-yl)amino-6H-trifluoromethyl-2,3-dihydro-6-imidazo[2,1-b]thiazol-5-one
  参考文献：
  名称：

  Cyclocondensation of methyl 2-(5-methylisoxazol-3-yl)imino-3,3,3-trifluoropropionate with 1,3-binucleophiles

  摘要：

  Cyclocondensation of methyl 2-(5-methylisoxazol-3-yl)imino-3,3,3-trifluoropropionate with 1,3-binucleophiles such as benzamidines, aminothiazoline, and 2-aminocrotonic acid nitrile results in trifluoromethyl-containing 3,5-dihydro-4-ones, 2,3-dihydro-6H-imidazo[2,1-b]thiazol-5-one, and 4,5-dihydro-1H-pyrrole-3-carbonitrile.

  DOI：

  10.1134/s1070363214010137

文献信息

• Cyclocondensation of methyl 2-(5-methylisoxazol-3-yl)imino-3,3,3-trifluoropropionate with 1,3-binucleophiles
  作者：V. B. Sokolov、A. Yu. Aksinenko、I. V. Martynov

  DOI：10.1134/s1070363214010137

  日期：2014.1

  Cyclocondensation of methyl 2-(5-methylisoxazol-3-yl)imino-3,3,3-trifluoropropionate with 1,3-binucleophiles such as benzamidines, aminothiazoline, and 2-aminocrotonic acid nitrile results in trifluoromethyl-containing 3,5-dihydro-4-ones, 2,3-dihydro-6H-imidazo[2,1-b]thiazol-5-one, and 4,5-dihydro-1H-pyrrole-3-carbonitrile.