1-[2-amino-4-methyl-5-[3-methyl-4-(trifluoromethoxy)pyridin-2-yl]-1H-pyrrol-3-yl]ethanone | 1346229-39-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-amino-4-methyl-5-[3-methyl-4-(trifluoromethoxy)pyridin-2-yl]-1H-pyrrol-3-yl]ethanone
• CAS: 1346229-39-7
• 化学式: C₁₄H₁₄F₃N₃O₂
• 分子量: 313.279
• InChiKey: PGJSPGDBEHGJGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(1-pyrrolidinyl)-3-penten-2-one 在 对甲苯磺酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.5h， 生成 1-[2-amino-4-methyl-5-[3-methyl-4-(trifluoromethoxy)pyridin-2-yl]-1H-pyrrol-3-yl]ethanone
  参考文献：
  名称：

  An efficient synthesis of 2-aminopyrroles from enaminone–amidine adduct and phenacyl/benzyl/heteroalkyl-halides

  摘要：

  Herein, we report an efficient and facile synthesis of substituted 2-aminopyrroles from the reaction of enaminone-amidine adduct and various phenacyl, benzyl, or heteroalkyl halides in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in good to excellent yields. The reaction proceeds through an intramolecular 5-exo trig cyclization resulting into diversely substituted 2-aminopyrroles. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.08.149

文献信息

• An efficient synthesis of 2-aminopyrroles from enaminone–amidine adduct and phenacyl/benzyl/heteroalkyl-halides
  作者：Hitesh B. Jalani、Amit N. Pandya、Arshi B. Baraiya、Jitendra C. Kaila、Dhaivat H. Pandya、Jayesh A. Sharma、V. Sudarsanam、Kamala K. Vasu

  DOI：10.1016/j.tetlet.2011.08.149

  日期：2011.11

  Herein, we report an efficient and facile synthesis of substituted 2-aminopyrroles from the reaction of enaminone-amidine adduct and various phenacyl, benzyl, or heteroalkyl halides in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in good to excellent yields. The reaction proceeds through an intramolecular 5-exo trig cyclization resulting into diversely substituted 2-aminopyrroles. (C) 2011 Published by Elsevier Ltd.