methyl 3,3,3-trifluoro-2-methoxy-2-(pyridin-2-yl-amino)propanoate | 914201-82-4

• 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: methyl 3,3,3-trifluoro-2-methoxy-2-(pyridin-2-yl-amino)propanoate
• 英文别名: methyl 3,3,3-trifluoro-2-methoxy-2-(pyridin-2-ylamino)propanoate
• CAS: 914201-82-4
• 化学式: C₁₀H₁₁F₃N₂O₃
• 分子量: 264.204
• InChiKey: ZAXNJYVIYOSSJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  methyl 3,3,3-trifluoro-2-(pyridine-2-imino)propionate 、 甲醇 以 苯 为溶剂， 以91%的产率得到methyl 3,3,3-trifluoro-2-methoxy-2-(pyridin-2-yl-amino)propanoate
  参考文献：
  名称：

  Reactions of methyl 3,3,3-trifluoro-2-(pyridin-2-ylimino)-propanoates with mono- and difunctional nucleophiles

  摘要：

  Reactions of methyl 3,3,3-trifluoro-2-(pyridin-2-ylimino)propanoates with such nucleophiles and 1,3-binucleophiles as methanol, p-toluidine, phenylhydrazine, diethyl phosphonate, 2-aminobut-2-enenitrile, benzamidine, and 4,5-dihydro-1,3-thiazol-2-amine led to the formation of various acyclic 2-substituted methyl 3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoates and trifluoromethyl-containing heterocyclic N-substituted 2-aminopyridine derivatives: 4,5-dihydro-1H-pyrroles, 4,5-dihydro-1H-imidazol-5-ones, and 2,3-dihydro-6Himidazo[2,1-b][1,3]thiazol-5-ones.

  DOI：

  10.1134/s1070363210010147

文献信息

• Reactions of methyl 3,3,3-trifluoro-2-(pyridin-2-ylimino)-propanoates with mono- and difunctional nucleophiles
  作者：V. B. Sokolov、A. Yu. Aksinenko

  DOI：10.1134/s1070363210010147

  日期：2010.1

  Reactions of methyl 3,3,3-trifluoro-2-(pyridin-2-ylimino)propanoates with such nucleophiles and 1,3-binucleophiles as methanol, p-toluidine, phenylhydrazine, diethyl phosphonate, 2-aminobut-2-enenitrile, benzamidine, and 4,5-dihydro-1,3-thiazol-2-amine led to the formation of various acyclic 2-substituted methyl 3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoates and trifluoromethyl-containing heterocyclic N-substituted 2-aminopyridine derivatives: 4,5-dihydro-1H-pyrroles, 4,5-dihydro-1H-imidazol-5-ones, and 2,3-dihydro-6Himidazo[2,1-b][1,3]thiazol-5-ones.